 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer01_STD_M11_augccpVDZ.in
 Output=21_phenylethanol_conformer01_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-251178.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    251205.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer01_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:02:31 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer01_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 2.166220000000     -0.541659000000      1.195302000000
  C                                                 1.646020000000     -0.400115000000     -0.135719000000
  H                                                 1.838555000000      0.193959000000      1.725431000000
  H                                                 1.824407000000     -1.375317000000     -0.592567000000
  C                                                 2.427578000000      0.650046000000     -0.915467000000
  C                                                 0.150400000000     -0.165668000000     -0.105785000000
  H                                                 2.328899000000      1.638727000000     -0.463185000000
  H                                                 2.074000000000      0.712216000000     -1.946429000000
  H                                                 3.485412000000      0.387513000000     -0.919933000000
  C                                                -0.725222000000     -1.234479000000     -0.286837000000
  C                                                -2.100455000000     -1.052102000000     -0.214220000000
  C                                                -2.622082000000      0.208958000000      0.048005000000
  C                                                -1.759833000000      1.283245000000      0.232897000000
  C                                                -0.385458000000      1.096625000000      0.152590000000
  H                                                -0.321703000000     -2.220444000000     -0.483457000000
  H                                                -2.764487000000     -1.894375000000     -0.360877000000
  H                                                -3.693001000000      0.354600000000      0.105456000000
  H                                                -2.158100000000      2.269728000000      0.433453000000
  H                                                 0.270579000000      1.947610000000      0.286902000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:02:31 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.166220   -0.541659    1.195302
      2          6           0        1.646020   -0.400115   -0.135719
      3          1           0        1.838555    0.193959    1.725431
      4          1           0        1.824407   -1.375317   -0.592567
      5          6           0        2.427578    0.650046   -0.915467
      6          6           0        0.150400   -0.165668   -0.105785
      7          1           0        2.328899    1.638727   -0.463185
      8          1           0        2.074000    0.712216   -1.946429
      9          1           0        3.485412    0.387513   -0.919933
     10          6           0       -0.725222   -1.234479   -0.286837
     11          6           0       -2.100455   -1.052102   -0.214220
     12          6           0       -2.622082    0.208958    0.048005
     13          6           0       -1.759833    1.283245    0.232897
     14          6           0       -0.385458    1.096625    0.152590
     15          1           0       -0.321703   -2.220444   -0.483457
     16          1           0       -2.764487   -1.894375   -0.360877
     17          1           0       -3.693001    0.354600    0.105456
     18          1           0       -2.158100    2.269728    0.433453
     19          1           0        0.270579    1.947610    0.286902
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.436057   0.000000
     3  H    0.964124   1.963128   0.000000
     4  H    2.002073   1.091582   2.799275   0.000000
     5  C    2.437994   1.523705   2.743958   2.137797   0.000000
     6  C    2.428524   1.514180   2.516456   2.121911   2.550787
     7  H    2.744290   2.174956   2.667926   3.058711   1.091690
     8  H    3.383959   2.167745   3.715721   2.500607   1.091680
     9  H    2.660422   2.149119   3.122107   2.444110   1.089934
    10  C    3.322224   2.518291   3.558456   2.571753   3.726494
    11  C    4.522369   3.803594   4.564068   3.956281   4.887958
    12  C    4.980718   4.315254   4.765634   4.763562   5.159642
    13  C    4.435131   3.816990   4.045071   4.538295   4.387948
    14  C    3.206600   2.539735   2.869646   3.398420   3.041932
    15  H    3.438940   2.703045   3.921128   2.309098   3.998111
    16  H    5.344474   4.662197   5.468255   4.623965   5.808544
    17  H    6.026733   5.397491   5.766128   5.824229   6.212170
    18  H    5.213833   4.682237   4.685219   5.495401   5.046920
    19  H    3.258083   2.753590   2.757391   3.772226   2.789625
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.851216   0.000000
     8  H    2.803371   1.767317   0.000000
     9  H    3.477233   1.763995   1.775165   0.000000
    10  C    1.393503   4.196912   3.792033   4.556436   0.000000
    11  C    2.421543   5.188615   4.851746   5.811405   1.389173
    12  C    2.801902   5.178587   5.126814   6.186297   2.407012
    13  C    2.421372   4.162767   4.446775   5.444626   2.771187
    14  C    1.395452   2.835628   3.256161   4.078821   2.396368
    15  H    2.141873   4.681805   4.059578   4.635308   1.083335
    16  H    3.398539   6.199666   5.720074   6.676885   2.144655
    17  H    3.884203   6.183495   6.131592   7.251353   3.389215
    18  H    3.398691   4.619013   5.099054   6.101116   3.853754
    19  H    2.152810   2.212402   3.125107   3.771671   3.383266
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.389651   0.000000
    13  C    2.402037   1.389874   0.000000
    14  C    2.773588   2.408605   1.389310   0.000000
    15  H    2.145104   3.387653   3.854506   3.378101   0.000000
    16  H    1.082530   2.147434   3.385139   3.856100   2.467497
    17  H    2.148768   1.082303   2.148432   3.390083   4.282910
    18  H    3.384872   2.147236   1.082584   2.144135   4.937076
    19  H    3.856319   3.383411   2.137024   1.082866   4.279828
                   16         17         18         19
    16  H    0.000000
    17  H    2.477396   0.000000
    18  H    4.282338   2.476130   0.000000
    19  H    4.938835   4.275578   2.454327   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.42D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.166220   -0.541659    1.195302
      2          6           0        1.646020   -0.400115   -0.135719
      3          1           0        1.838555    0.193959    1.725431
      4          1           0        1.824407   -1.375317   -0.592567
      5          6           0        2.427578    0.650046   -0.915467
      6          6           0        0.150400   -0.165668   -0.105785
      7          1           0        2.328899    1.638727   -0.463185
      8          1           0        2.074000    0.712216   -1.946429
      9          1           0        3.485412    0.387513   -0.919933
     10          6           0       -0.725222   -1.234479   -0.286837
     11          6           0       -2.100455   -1.052102   -0.214220
     12          6           0       -2.622082    0.208958    0.048005
     13          6           0       -1.759833    1.283245    0.232897
     14          6           0       -0.385458    1.096625    0.152590
     15          1           0       -0.321703   -2.220444   -0.483457
     16          1           0       -2.764487   -1.894375   -0.360877
     17          1           0       -3.693001    0.354600    0.105456
     18          1           0       -2.158100    2.269728    0.433453
     19          1           0        0.270579    1.947610    0.286902
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4676766           1.1011704           0.9798041
 Leave Link  202 at Thu Aug 12 21:02:31 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       424.8829512949 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:02:33 2021, MaxMem=  5368709120 cpu:              11.2 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.72D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:02:33 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:02:33 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer01_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:02:34 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368505071 LenY=  5368405405
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.889136421089    
 DIIS: error= 3.26D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.889136421089     IErMin= 1 ErrMin= 3.26D-03
 ErrMax= 3.26D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-02 BMatP= 1.06D-02
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.26D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.406 Goal=   None    Shift=    0.000
 GapD=    0.406 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.99D-02 MaxDP=3.92D+00              OVMax= 1.85D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.40D-02    CP:  1.86D+00
 E= -385.899448162209     Delta-E=       -0.010311741120 Rises=F Damp=F
 DIIS: error= 7.16D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.899448162209     IErMin= 2 ErrMin= 7.16D-04
 ErrMax= 7.16D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.65D-04 BMatP= 1.06D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.16D-03
 Coeff-Com: -0.339D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.337D-01 0.103D+01
 Gap=     0.339 Goal=   None    Shift=    0.000
 RMSDP=1.45D-02 MaxDP=8.59D-01 DE=-1.03D-02 OVMax= 6.96D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.55D-03    CP:  2.03D+00  1.20D+00
 E= -385.899724526403     Delta-E=       -0.000276364193 Rises=F Damp=F
 DIIS: error= 5.31D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -385.899724526403     IErMin= 3 ErrMin= 5.31D-04
 ErrMax= 5.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.89D-04 BMatP= 3.65D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.31D-03
 Coeff-Com: -0.482D-01 0.501D+00 0.547D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.479D-01 0.499D+00 0.549D+00
 Gap=     0.340 Goal=   None    Shift=    0.000
 RMSDP=1.40D-03 MaxDP=7.95D-02 DE=-2.76D-04 OVMax= 3.35D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.35D-04    CP:  2.05D+00  1.22D+00  1.10D+00
 E= -385.899926221260     Delta-E=       -0.000201694857 Rises=F Damp=F
 DIIS: error= 9.11D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.899926221260     IErMin= 4 ErrMin= 9.11D-05
 ErrMax= 9.11D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.48D-06 BMatP= 2.89D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.174D-02-0.489D-01 0.700D-01 0.981D+00
 Coeff:     -0.174D-02-0.489D-01 0.700D-01 0.981D+00
 Gap=     0.340 Goal=   None    Shift=    0.000
 RMSDP=4.91D-04 MaxDP=2.81D-02 DE=-2.02D-04 OVMax= 9.06D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.61D-04    CP:  2.05D+00  1.23D+00  1.17D+00  1.31D+00
 E= -385.899934847133     Delta-E=       -0.000008625873 Rises=F Damp=F
 DIIS: error= 3.63D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.899934847133     IErMin= 5 ErrMin= 3.63D-05
 ErrMax= 3.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.32D-07 BMatP= 6.48D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.293D-02-0.500D-01-0.222D-01 0.285D+00 0.784D+00
 Coeff:      0.293D-02-0.500D-01-0.222D-01 0.285D+00 0.784D+00
 Gap=     0.339 Goal=   None    Shift=    0.000
 RMSDP=7.49D-05 MaxDP=3.17D-03 DE=-8.63D-06 OVMax= 2.51D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.56D-05    CP:  2.05D+00  1.23D+00  1.18D+00  1.33D+00  1.27D+00
 E= -385.899935772612     Delta-E=       -0.000000925479 Rises=F Damp=F
 DIIS: error= 9.11D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.899935772612     IErMin= 6 ErrMin= 9.11D-06
 ErrMax= 9.11D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.68D-08 BMatP= 7.32D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.854D-03-0.751D-02-0.129D-01-0.161D-01 0.202D+00 0.834D+00
 Coeff:      0.854D-03-0.751D-02-0.129D-01-0.161D-01 0.202D+00 0.834D+00
 Gap=     0.339 Goal=   None    Shift=    0.000
 RMSDP=2.43D-05 MaxDP=1.55D-03 DE=-9.25D-07 OVMax= 1.00D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.57D-06    CP:  2.05D+00  1.23D+00  1.17D+00  1.33D+00  1.31D+00
                    CP:  8.93D-01
 E= -385.899935874467     Delta-E=       -0.000000101855 Rises=F Damp=F
 DIIS: error= 3.60D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.899935874467     IErMin= 7 ErrMin= 3.60D-06
 ErrMax= 3.60D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-08 BMatP= 6.68D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.322D-05 0.289D-02-0.216D-02-0.372D-01-0.234D-01 0.281D+00
 Coeff-Com:  0.779D+00
 Coeff:     -0.322D-05 0.289D-02-0.216D-02-0.372D-01-0.234D-01 0.281D+00
 Coeff:      0.779D+00
 Gap=     0.339 Goal=   None    Shift=    0.000
 RMSDP=1.06D-05 MaxDP=7.50D-04 DE=-1.02D-07 OVMax= 4.55D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.58D-06    CP:  2.05D+00  1.23D+00  1.17D+00  1.33D+00  1.32D+00
                    CP:  9.33D-01  1.13D+00
 E= -385.899935890234     Delta-E=       -0.000000015768 Rises=F Damp=F
 DIIS: error= 1.14D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.899935890234     IErMin= 8 ErrMin= 1.14D-06
 ErrMax= 1.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-09 BMatP= 1.06D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.118D-03 0.196D-02 0.102D-02-0.108D-01-0.355D-01-0.188D-01
 Coeff-Com:  0.261D+00 0.802D+00
 Coeff:     -0.118D-03 0.196D-02 0.102D-02-0.108D-01-0.355D-01-0.188D-01
 Coeff:      0.261D+00 0.802D+00
 Gap=     0.339 Goal=   None    Shift=    0.000
 RMSDP=3.02D-06 MaxDP=1.64D-04 DE=-1.58D-08 OVMax= 1.56D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.40D-06    CP:  2.05D+00  1.23D+00  1.17D+00  1.33D+00  1.33D+00
                    CP:  9.31D-01  1.20D+00  1.08D+00
 E= -385.899935892252     Delta-E=       -0.000000002018 Rises=F Damp=F
 DIIS: error= 2.50D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.899935892252     IErMin= 9 ErrMin= 2.50D-07
 ErrMax= 2.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.75D-11 BMatP= 1.24D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.102D-04-0.347D-04 0.279D-03 0.193D-02-0.165D-02-0.263D-01
 Coeff-Com: -0.348D-01 0.953D-01 0.965D+00
 Coeff:     -0.102D-04-0.347D-04 0.279D-03 0.193D-02-0.165D-02-0.263D-01
 Coeff:     -0.348D-01 0.953D-01 0.965D+00
 Gap=     0.339 Goal=   None    Shift=    0.000
 RMSDP=1.95D-06 MaxDP=1.29D-04 DE=-2.02D-09 OVMax= 4.81D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.77D-07    CP:  2.05D+00  1.23D+00  1.17D+00  1.33D+00  1.33D+00
                    CP:  9.25D-01  1.23D+00  1.15D+00  1.15D+00
 E= -385.899935892363     Delta-E=       -0.000000000110 Rises=F Damp=F
 DIIS: error= 9.14D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.899935892363     IErMin=10 ErrMin= 9.14D-08
 ErrMax= 9.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.68D-12 BMatP= 5.75D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.882D-05-0.213D-03-0.179D-04 0.180D-02 0.321D-02-0.669D-02
 Coeff-Com: -0.377D-01-0.532D-01 0.299D+00 0.794D+00
 Coeff:      0.882D-05-0.213D-03-0.179D-04 0.180D-02 0.321D-02-0.669D-02
 Coeff:     -0.377D-01-0.532D-01 0.299D+00 0.794D+00
 Gap=     0.339 Goal=   None    Shift=    0.000
 RMSDP=5.14D-07 MaxDP=3.30D-05 DE=-1.10D-10 OVMax= 2.43D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.77D-08    CP:  2.05D+00  1.23D+00  1.17D+00  1.33D+00  1.32D+00
                    CP:  9.23D-01  1.23D+00  1.16D+00  1.21D+00  1.19D+00
 E= -385.899935892404     Delta-E=       -0.000000000042 Rises=F Damp=F
 DIIS: error= 5.71D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -385.899935892404     IErMin=11 ErrMin= 5.71D-08
 ErrMax= 5.71D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.73D-13 BMatP= 9.68D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.128D-05-0.438D-05-0.343D-04-0.122D-03 0.217D-03 0.257D-02
 Coeff-Com:  0.301D-02-0.130D-01-0.927D-01 0.297D-01 0.107D+01
 Coeff:      0.128D-05-0.438D-05-0.343D-04-0.122D-03 0.217D-03 0.257D-02
 Coeff:      0.301D-02-0.130D-01-0.927D-01 0.297D-01 0.107D+01
 Gap=     0.339 Goal=   None    Shift=    0.000
 RMSDP=9.08D-08 MaxDP=2.70D-06 DE=-4.17D-11 OVMax= 1.44D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.49D-08    CP:  2.05D+00  1.23D+00  1.17D+00  1.33D+00  1.32D+00
                    CP:  9.22D-01  1.23D+00  1.16D+00  1.22D+00  1.31D+00
                    CP:  1.44D+00
 E= -385.899935892426     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 2.32D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -385.899935892426     IErMin=12 ErrMin= 2.32D-08
 ErrMax= 2.32D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-13 BMatP= 8.73D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.109D-05 0.321D-04-0.472D-05-0.305D-03-0.470D-03 0.161D-02
 Coeff-Com:  0.654D-02 0.537D-02-0.664D-01-0.116D+00 0.227D+00 0.943D+00
 Coeff:     -0.109D-05 0.321D-04-0.472D-05-0.305D-03-0.470D-03 0.161D-02
 Coeff:      0.654D-02 0.537D-02-0.664D-01-0.116D+00 0.227D+00 0.943D+00
 Gap=     0.339 Goal=   None    Shift=    0.000
 RMSDP=6.62D-08 MaxDP=3.20D-06 DE=-2.14D-11 OVMax= 8.00D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.84D-08    CP:  2.05D+00  1.23D+00  1.17D+00  1.33D+00  1.32D+00
                    CP:  9.22D-01  1.23D+00  1.16D+00  1.22D+00  1.35D+00
                    CP:  1.66D+00  1.42D+00
 E= -385.899935892433     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 1.52D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -385.899935892433     IErMin=13 ErrMin= 1.52D-08
 ErrMax= 1.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.04D-14 BMatP= 1.96D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.573D-06 0.947D-05 0.710D-05-0.556D-04-0.168D-03-0.131D-03
 Coeff-Com:  0.102D-02 0.418D-02 0.170D-02-0.346D-01-0.161D+00 0.195D+00
 Coeff-Com:  0.994D+00
 Coeff:     -0.573D-06 0.947D-05 0.710D-05-0.556D-04-0.168D-03-0.131D-03
 Coeff:      0.102D-02 0.418D-02 0.170D-02-0.346D-01-0.161D+00 0.195D+00
 Coeff:      0.994D+00
 Gap=     0.339 Goal=   None    Shift=    0.000
 RMSDP=3.32D-08 MaxDP=1.30D-06 DE=-7.62D-12 OVMax= 4.26D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  9.73D-09    CP:  2.05D+00  1.23D+00  1.17D+00  1.33D+00  1.32D+00
                    CP:  9.22D-01  1.23D+00  1.16D+00  1.23D+00  1.37D+00
                    CP:  1.77D+00  1.70D+00  1.38D+00
 E= -385.899935892432     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 3.90D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -385.899935892433     IErMin=14 ErrMin= 3.90D-09
 ErrMax= 3.90D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.18D-15 BMatP= 4.04D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.413D-07-0.323D-05 0.308D-05 0.390D-04 0.413D-04-0.328D-03
 Coeff-Com: -0.904D-03 0.232D-03 0.126D-01 0.134D-01-0.815D-01-0.140D+00
 Coeff-Com:  0.283D+00 0.914D+00
 Coeff:      0.413D-07-0.323D-05 0.308D-05 0.390D-04 0.413D-04-0.328D-03
 Coeff:     -0.904D-03 0.232D-03 0.126D-01 0.134D-01-0.815D-01-0.140D+00
 Coeff:      0.283D+00 0.914D+00
 Gap=     0.339 Goal=   None    Shift=    0.000
 RMSDP=9.08D-09 MaxDP=3.32D-07 DE= 1.59D-12 OVMax= 1.55D-07

 SCF Done:  E(RM11) =  -385.899935892     A.U. after   14 cycles
            NFock= 14  Conv=0.91D-08     -V/T= 2.0065
 KE= 3.834224128117D+02 PE=-1.746897816839D+03 EE= 5.526925168399D+02
 Leave Link  502 at Thu Aug 12 21:05:36 2021, MaxMem=  5368709120 cpu:            1452.4 elap:             182.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.13831831D+03

 Leave Link  801 at Thu Aug 12 21:05:36 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 3.63D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 1.85D-01 7.55D-02.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 2.83D-02 5.29D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 2.61D-03 1.35D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 2.65D-04 3.40D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 1.80D-05 5.55D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 7.84D-07 1.29D-04.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 1.93D-08 2.89D-05.
     11 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 4.35D-10 4.29D-06.
     11 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 8.97D-12 3.97D-07.
      8 vectors produced by pass 10 Test12= 1.45D-13 8.33D-09 XBig12= 2.20D-13 6.74D-08.
      1 vectors produced by pass 11 Test12= 1.45D-13 8.33D-09 XBig12= 8.02D-15 9.73D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.129191D+03
      2  0.950165D+00  0.104742D+03
      3 -0.170568D+01  0.557671D+01  0.745951D+02
 Isotropic polarizability for W=    0.085645      102.84 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.936898D+02 -0.440677D+01  0.844080D+01
      2   0.333921D+02  0.109447D+02  0.795350D+01
      3   0.602976D+02 -0.653789D+01 -0.163943D+02
      4   0.155604D+02 -0.827543D+02 -0.256045D+02
      5  -0.193557D+02 -0.261865D+02  0.195150D+02
      6  -0.103955D+02 -0.158956D+02  0.102429D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.373421D+00 -0.849389D+01 -0.276817D+01
      2   0.117525D+02 -0.101260D+02  0.566465D+01
      3   0.224440D+01  0.413255D+02  0.955490D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.581957D+00 -0.238491D+02 -0.167808D+02
      2   0.277965D+02 -0.152090D+02 -0.407826D+02
      3   0.199671D+02  0.116146D+03  0.157909D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.431051D+00 -0.321224D+00  0.529229D+00
      2  -0.321224D+00  0.116192D+01 -0.232705D+01
      3   0.529229D+00 -0.232705D+01 -0.928568D+00
 OR G Eigenvalues:    -2.4711    -0.4918     2.7653  Iso=     0.0659
 Eigenvectors:
   (1)  -0.135030   0.525934   0.839738
   (2)   0.975717   0.218092   0.020303
   (3)  -0.172462   0.822088  -0.542612
 w=    0.085645 a.u., Optical Rotation Beta=      0.0659 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       25.58 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 2.48D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.67D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 4.79D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 2.98D-02 3.02D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 1.28D-03 5.32D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 1.74D-05 6.67D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 3.12D-07 8.77D-05.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 4.31D-09 8.86D-06.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 4.42D-11 7.47D-07.
     30 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 4.05D-13 7.06D-08.
     16 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 9.96D-15 1.46D-08.
      2 vectors produced by pass  9 Test12= 2.42D-14 2.78D-09 XBig12= 3.27D-16 3.02D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   258 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 5.16D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 5.16D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.32D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129191D+03  0.950165D+00 -0.170568D+01
      2   0.950165D+00  0.104742D+03  0.557671D+01
      3  -0.170568D+01  0.557671D+01  0.745951D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.373421D+00 -0.849389D+01 -0.276817D+01
      2   0.117525D+02 -0.101260D+02  0.566465D+01
      3   0.224440D+01  0.413255D+02  0.955490D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.936898D+02 -0.440677D+01  0.844080D+01
      2   0.333921D+02  0.109447D+02  0.795350D+01
      3   0.602976D+02 -0.653789D+01 -0.163943D+02
      4   0.155604D+02 -0.827543D+02 -0.256045D+02
      5  -0.193557D+02 -0.261865D+02  0.195150D+02
      6  -0.103955D+02 -0.158956D+02  0.102429D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.515028D+01 -0.108066D+01  0.247680D+01 -0.215849D+01  0.204008D+01
      2  -0.108066D+01  0.679249D+00 -0.368427D+00  0.204008D+01 -0.301600D+01
      3   0.247680D+01 -0.368427D+00  0.267048D+01 -0.103031D+01  0.700738D-01
                 6             7             8             9            10 
      1  -0.103031D+01  0.497462D+01 -0.909629D+00  0.390101D+01 -0.274576D+01
      2   0.700738D-01 -0.909629D+00 -0.134281D+01 -0.301283D+01 -0.106737D+00
      3  -0.314491D+01  0.390101D+01 -0.301283D+01  0.319683D+01 -0.540835D+00
                11            12            13            14            15 
      1  -0.106737D+00 -0.540835D+00 -0.123932D+01 -0.257479D+01  0.182571D+01
      2  -0.669801D+00  0.141262D+01 -0.257479D+01  0.396957D+01  0.316852D+01
      3   0.141262D+01 -0.238772D+01  0.182571D+01  0.316852D+01  0.639051D-01
                16            17            18            19            20 
      1  -0.258348D+01  0.183746D+01 -0.492417D+01 -0.556392D+00  0.484288D+00
      2   0.183746D+01  0.379064D+01  0.162169D+01  0.484288D+00 -0.392669D+00
      3  -0.492417D+01  0.162169D+01 -0.155166D+01  0.117614D+00 -0.384330D+00
                21            22            23            24            25 
      1   0.117614D+00  0.175369D+01 -0.157769D+00  0.210302D+00  0.126637D+01
      2  -0.384330D+00 -0.157769D+00  0.207715D+01  0.169665D+01 -0.185344D+00
      3  -0.115192D+01  0.210302D+00  0.169665D+01  0.279772D+01  0.178458D+00
                26            27            28            29            30 
      1  -0.185344D+00  0.178458D+00  0.294055D+00 -0.129618D+01 -0.741053D+00
      2   0.170560D+01  0.122843D+01 -0.129618D+01  0.124327D+01  0.225457D+00
      3   0.122843D+01  0.377604D+01 -0.741053D+00  0.225457D+00  0.712641D+00
                31            32            33            34            35 
      1  -0.243752D+01  0.196557D+01  0.381970D+00 -0.104094D+01  0.421397D+00
      2   0.196557D+01 -0.621783D+01 -0.182600D+01  0.421397D+00 -0.222595D+01
      3   0.381970D+00 -0.182600D+01 -0.170250D+01  0.108463D+01 -0.171453D+01
                36            37            38            39            40 
      1   0.108463D+01 -0.856472D+01  0.220738D+01  0.458593D-01  0.494353D+01
      2  -0.171453D+01  0.220738D+01  0.123685D+01 -0.119753D+01  0.148332D+01
      3  -0.151467D+01  0.458593D-01 -0.119753D+01  0.319919D+01 -0.163221D+01
                41            42            43            44            45 
      1   0.148332D+01 -0.163221D+01 -0.145830D+01 -0.153011D+01  0.276911D+01
      2  -0.340578D+01 -0.306321D+01 -0.153011D+01 -0.300123D+01 -0.605653D+00
      3  -0.306321D+01  0.125861D-03  0.276911D+01 -0.605653D+00  0.477188D+01
                46            47            48            49            50 
      1   0.154829D+02 -0.167341D+01  0.614581D+00 -0.282240D+01 -0.130918D+01
      2  -0.167341D+01  0.255190D+01  0.329747D-01 -0.130918D+01 -0.678680D+00
      3   0.614581D+00  0.329747D-01  0.228626D+01 -0.146927D+01 -0.418439D+00
                51            52            53            54            55 
      1  -0.146927D+01 -0.131741D+01 -0.946239D+00  0.350746D+01  0.609174D+00
      2  -0.418439D+00 -0.946239D+00 -0.285735D+00 -0.448106D+00  0.638662D+00
      3  -0.110663D+00  0.350746D+01 -0.448106D+00 -0.362559D+00  0.524158D+00
                56            57            58            59            60 
      1   0.638662D+00  0.524158D+00  0.177452D+01  0.878152D+00 -0.616442D-01
      2   0.599176D-03  0.224847D+00  0.878152D+00  0.636046D+01  0.109005D+01
      3   0.224847D+00 -0.428766D+00 -0.616442D-01  0.109005D+01  0.167544D+01
                61            62            63            64            65 
      1   0.129296D+01  0.519595D+00 -0.222378D+00 -0.238818D-01 -0.130662D+00
      2   0.519595D+00  0.202506D+01  0.128778D+01 -0.130662D+00 -0.517337D+00
      3  -0.222378D+00  0.128778D+01  0.683029D+00 -0.101783D+01  0.381710D+00
                66            67            68            69            70 
      1  -0.101783D+01 -0.476286D+00 -0.115298D+00  0.155428D+00 -0.167878D+01
      2   0.381710D+00 -0.115298D+00  0.737051D+00 -0.947428D+00 -0.130478D+00
      3  -0.196992D+01  0.155428D+00 -0.947428D+00  0.545006D+00 -0.180387D-01
                71            72            73            74            75 
      1  -0.130478D+00 -0.180387D-01  0.133048D+02 -0.537906D+00 -0.150119D+01
      2  -0.116363D+01  0.121367D+01 -0.537906D+00  0.109312D+01 -0.935635D-02
      3   0.121367D+01 -0.880242D+01 -0.150119D+01 -0.935635D-02  0.122605D+01
                76            77            78            79            80 
      1  -0.256137D+01  0.114736D+01  0.519278D+00 -0.109968D+00  0.172893D+00
      2   0.114736D+01 -0.325606D+00  0.187462D+00  0.172893D+00  0.364991D+00
      3   0.519278D+00  0.187462D+00 -0.512382D+00  0.119050D+01 -0.293391D-01
                81            82            83            84            85 
      1   0.119050D+01 -0.440724D+01  0.256478D+01  0.226577D+00 -0.581819D+01
      2  -0.293391D-01  0.256478D+01  0.255781D+01  0.173228D+00  0.212390D+00
      3  -0.785259D+00  0.226577D+00  0.173228D+00  0.143694D+01 -0.204961D+00
                86            87            88            89            90 
      1   0.212390D+00 -0.204961D+00 -0.112094D+01 -0.572502D+00  0.103987D+01
      2  -0.157781D+01  0.803164D+00 -0.572502D+00  0.108778D+01 -0.349804D+01
      3   0.803164D+00 -0.201662D+01  0.103987D+01 -0.349804D+01 -0.231746D+01
                91            92            93            94            95 
      1   0.165717D+01 -0.558394D+00  0.454957D-01 -0.533699D+01  0.776613D+00
      2  -0.558394D+00 -0.314773D+01 -0.643605D+00  0.776613D+00 -0.582793D+00
      3   0.454957D-01 -0.643605D+00 -0.197313D+01  0.601778D+00  0.120297D+01
                96            97            98            99           100 
      1   0.601778D+00 -0.105789D+01  0.667984D+00 -0.297372D+01 -0.512719D+01
      2   0.120297D+01  0.667984D+00  0.152310D+01 -0.314781D+01  0.909961D-01
      3  -0.207803D+01 -0.297372D+01 -0.314781D+01 -0.147241D+01 -0.248805D+00
               101           102           103           104           105 
      1   0.909961D-01 -0.248805D+00  0.729027D+00  0.529830D+00  0.140725D+01
      2  -0.338562D+01  0.890388D-02  0.529830D+00 -0.212038D+00 -0.530241D+00
      3   0.890388D-02 -0.338880D+01  0.140725D+01 -0.530241D+00  0.252437D+00
               106           107           108           109           110 
      1   0.122011D-01  0.118752D+01 -0.518354D+01  0.362982D+01 -0.596692D+00
      2   0.118752D+01 -0.145649D+00  0.449349D+00 -0.596692D+00 -0.203253D+01
      3  -0.518354D+01  0.449349D+00  0.645096D+00 -0.236688D+00  0.109837D+00
               111           112           113           114           115 
      1  -0.236688D+00  0.503517D+01 -0.195344D+00  0.294151D+00  0.105149D+01
      2   0.109837D+00 -0.195344D+00  0.133355D+01 -0.102236D+01  0.533451D+00
      3  -0.102471D+01  0.294151D+00 -0.102236D+01  0.243303D+01 -0.178117D+01
               116           117           118           119           120 
      1   0.533451D+00 -0.178117D+01 -0.353707D+01 -0.682715D+00 -0.448892D-01
      2  -0.125421D+01  0.371848D+01 -0.682715D+00  0.338090D+01  0.434840D+00
      3   0.371848D+01  0.242444D+01 -0.448892D-01  0.434840D+00  0.208653D+01
               121           122           123           124           125 
      1   0.760518D+01  0.128001D+00  0.494976D-01  0.168750D+01 -0.614007D-01
      2   0.128001D+00  0.124371D+01 -0.537619D+00 -0.614007D-01 -0.118146D+01
      3   0.494976D-01 -0.537619D+00  0.164570D+01  0.193709D+01  0.297785D+01
               126           127           128           129           130 
      1   0.193709D+01  0.159331D+01 -0.184690D+01 -0.397826D+00 -0.149787D+01
      2   0.297785D+01 -0.184690D+01  0.225401D+01  0.443360D+00  0.207165D+01
      3   0.134529D+01 -0.397826D+00  0.443360D+00  0.329047D+00  0.436148D+00
               131           132           133           134           135 
      1   0.207165D+01  0.436148D+00 -0.412322D+00  0.534121D+00  0.430035D-01
      2  -0.869684D+01 -0.152540D+01  0.534121D+00 -0.168251D+01 -0.456457D+00
      3  -0.152540D+01 -0.110570D+01  0.430035D-01 -0.456457D+00 -0.226728D+00
               136           137           138           139           140 
      1  -0.498945D+01 -0.387438D+01 -0.633091D+00 -0.368779D+01 -0.442830D+01
      2  -0.387438D+01 -0.359097D+01 -0.466631D+00 -0.442830D+01 -0.657596D+01
      3  -0.633091D+00 -0.466631D+00 -0.638062D+00 -0.775666D+00 -0.100439D+01
               141           142           143           144           145 
      1  -0.775666D+00 -0.630392D+00 -0.768360D+00 -0.208878D+00 -0.131602D+02
      2  -0.100439D+01 -0.768360D+00 -0.125706D+01 -0.279429D+00  0.134291D+01
      3  -0.891109D+00 -0.208878D+00 -0.279429D+00 -0.196791D+00  0.621226D+00
               146           147           148           149           150 
      1   0.134291D+01  0.621226D+00  0.128834D+01 -0.164450D+01 -0.379625D+00
      2  -0.890799D+00 -0.449577D-01 -0.164450D+01  0.466034D+00  0.995594D-01
      3  -0.449577D-01 -0.894380D+00 -0.379625D+00  0.995594D-01  0.144748D+00
               151           152           153           154           155 
      1   0.521989D+00 -0.387594D+00 -0.396932D-01 -0.226024D+01  0.260689D+01
      2  -0.387594D+00  0.842471D-01  0.298424D-01  0.260689D+01 -0.281951D+01
      3  -0.396932D-01  0.298424D-01  0.326942D-01  0.568838D+00 -0.560401D+00
               156           157           158           159           160 
      1   0.568838D+00  0.222953D+01 -0.373148D+01 -0.775792D+00  0.522628D+00
      2  -0.560401D+00 -0.373148D+01  0.936781D+01  0.177149D+01 -0.824834D+00
      3  -0.464900D+00 -0.775792D+00  0.177149D+01  0.116415D+01 -0.225315D+00
               161           162           163           164           165 
      1  -0.824834D+00 -0.225315D+00  0.365059D+01  0.244872D+01  0.121065D+00
      2   0.193390D+01  0.422659D+00  0.244872D+01  0.244925D+01  0.227456D+00
      3   0.422659D+00  0.252546D+00  0.121065D+00  0.227456D+00  0.375181D+00
               166           167           168           169           170 
      1   0.267726D+01  0.292371D+01  0.447956D+00  0.806635D-01  0.442066D+00
      2   0.292371D+01  0.573400D+01  0.785141D+00  0.442066D+00  0.102494D+01
      3   0.447956D+00  0.785141D+00  0.839641D+00 -0.742391D-01  0.242430D+00
               171 
      1  -0.742391D-01
      2   0.242430D+00
      3   0.102118D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.465444D+00  0.384038D+01  0.165081D+01  0.770482D+00 -0.536805D+01
      2   0.162865D+01  0.822538D+00  0.122854D+02  0.249979D+01 -0.232079D+01
      3  -0.879300D+00 -0.808865D+01 -0.169429D+01 -0.365368D+01  0.644925D+01
                 6             7             8             9            10 
      1  -0.750033D+01  0.252971D+01  0.708344D+00  0.167505D+00  0.212484D+00
      2  -0.763483D+01  0.542170D+01 -0.757772D+01  0.555660D+01 -0.129976D+00
      3   0.183282D+01 -0.329933D+01  0.253999D+01  0.537432D+01  0.439317D+01
                11            12            13            14            15 
      1   0.477736D+00  0.722838D-01  0.112348D+01  0.836531D+00 -0.343842D+01
      2   0.815412D+00 -0.375990D+01  0.124320D+01  0.592265D+01  0.106424D+01
      3   0.345614D+01 -0.478682D+00  0.129482D+02 -0.771323D+01 -0.830610D+01
                16            17            18            19            20 
      1  -0.169493D+01  0.762123D+00 -0.140775D+01  0.202204D+01 -0.198399D+01
      2  -0.146957D+02  0.459443D+01 -0.472825D+01  0.381841D+01 -0.199732D+01
      3  -0.284241D+00 -0.986356D+01 -0.149219D+01 -0.249239D+01  0.225542D+01
                21            22            23            24            25 
      1  -0.916805D+00 -0.147484D+01  0.564319D+01  0.350719D+01 -0.413497D+00
      2  -0.303139D+01 -0.283874D+01  0.492046D+01  0.704555D+01 -0.170092D+01
      3   0.106590D+01  0.340496D+01 -0.476909D+01 -0.455755D+01  0.187911D+00
                26            27            28            29            30 
      1   0.425067D+01  0.427902D+01  0.152962D-01 -0.595558D+00  0.589534D+00
      2   0.350151D+01  0.828802D+01 -0.170910D+01  0.295517D+00  0.197872D+01
      3  -0.313743D+01 -0.380884D+01  0.340451D+01 -0.300691D+01 -0.142071D+00
                31            32            33            34            35 
      1  -0.121147D+00  0.157051D+01 -0.268499D+01  0.693387D+00  0.101689D+01
      2  -0.434940D+00 -0.333571D+01 -0.366354D+01  0.156806D+00 -0.311009D+01
      3   0.121528D+01  0.125071D+02  0.381466D+01  0.759098D+00  0.501932D+01
                36            37            38            39            40 
      1  -0.851586D+00 -0.272726D+01 -0.179480D+01 -0.136587D+01  0.115054D+00
      2  -0.246535D+01 -0.743325D+01 -0.710412D+00  0.115363D+02 -0.154048D+00
      3   0.310092D+01 -0.148029D+02 -0.658176D+01  0.387156D+01 -0.194404D+00
                41            42            43            44            45 
      1   0.602043D+01  0.173413D+01  0.744038D+00  0.657300D+01 -0.476924D+01
      2  -0.690964D+01 -0.229174D+01  0.282309D+01 -0.366076D+01  0.171556D+02
      3   0.128234D+02  0.870375D+01  0.351068D+01  0.888947D+01  0.339605D+01
                46            47            48            49            50 
      1   0.638120D+00  0.312929D+00  0.463011D+00  0.106568D+01 -0.212853D+01
      2   0.183690D+01 -0.133039D+01 -0.582550D+00 -0.723596D+00 -0.981033D+00
      3  -0.142592D+01  0.396507D+01  0.699513D+00  0.144690D+02 -0.101909D+01
                51            52            53            54            55 
      1   0.182666D+01  0.840791D+00  0.100331D+02  0.206133D+01 -0.153699D+01
      2   0.119977D+00 -0.151504D+02 -0.353686D+00 -0.639229D+00  0.180994D+01
      3   0.182017D+01 -0.128167D+00  0.661600D+00 -0.581728D+00 -0.348856D+01
                56            57            58            59            60 
      1  -0.726397D-02  0.434007D+00 -0.383717D-01 -0.804970D+01 -0.539502D+01
      2   0.856089D+00 -0.433513D+00  0.529047D+00  0.392398D+01  0.453241D+01
      3   0.907799D+00  0.450413D+00  0.293370D+01 -0.186826D+02 -0.441988D+01
                61            62            63            64            65 
      1  -0.177771D-01 -0.210122D+01 -0.266332D+01  0.921604D+00  0.124341D+01
      2  -0.124888D+01  0.348429D+01  0.182114D+01 -0.434248D+01  0.492656D+00
      3   0.139424D+01 -0.639431D+01 -0.444894D+01  0.564577D-02  0.901489D+00
                66            67            68            69            70 
      1   0.122579D+01  0.567372D+00 -0.311631D+00 -0.477512D+00  0.627622D+00
      2  -0.552630D+01 -0.141209D+00 -0.236544D+01  0.170181D+01 -0.493985D+01
      3  -0.155414D+01  0.154752D+01 -0.200226D+01  0.227318D+01 -0.145719D+01
                71            72            73            74            75 
      1   0.283813D+01  0.527554D+01  0.156970D+01 -0.165487D+01 -0.629017D+00
      2   0.292782D+01 -0.227473D+02  0.814859D+01 -0.627627D+00  0.501694D+01
      3   0.265586D+01 -0.389097D+01  0.991508D+01 -0.700966D+01 -0.880698D+00
                76            77            78            79            80 
      1  -0.136404D+01  0.166282D+00 -0.800677D+00 -0.776484D+00  0.232087D+00
      2  -0.709648D+00  0.164123D+01 -0.134819D+01  0.163061D+01 -0.176509D-01
      3  -0.361673D+01  0.137954D+01 -0.808177D+00 -0.917768D+00 -0.890338D+00
                81            82            83            84            85 
      1   0.287227D+00 -0.704287D+00 -0.990573D+00  0.194909D+01 -0.119145D+01
      2  -0.134814D+01 -0.267196D+01  0.161743D+01 -0.153020D+01  0.124773D+01
      3   0.635733D+00  0.530155D+01 -0.472808D+01 -0.170757D+01  0.463820D+01
                86            87            88            89            90 
      1   0.381936D+00 -0.311583D+01  0.395290D+01  0.100401D+01 -0.779229D+00
      2   0.857265D+00  0.184962D+01 -0.123486D+02  0.161985D+01  0.218242D+01
      3  -0.518964D+01 -0.462552D+00 -0.137597D+01  0.368521D+00 -0.476888D+01
                91            92            93            94            95 
      1  -0.143645D+00  0.390385D+00 -0.277372D+01  0.118562D+01  0.438970D-01
      2   0.918544D+00  0.143078D+01  0.264216D+01 -0.109996D+01 -0.293670D+01
      3  -0.285442D+01 -0.950484D+01 -0.153681D+01  0.659166D+01 -0.156502D+01
                96            97            98            99           100 
      1  -0.232829D+01 -0.618524D+01  0.392909D+01  0.861523D+00  0.144267D+00
      2   0.651416D+01 -0.345953D+01  0.904557D+01  0.399940D+01 -0.554658D+00
      3   0.209857D+01  0.775861D+00  0.277223D+01 -0.391196D+01  0.209224D+01
               101           102           103           104           105 
      1   0.108074D+00  0.124417D+01 -0.710234D-01 -0.310726D+01  0.274212D+01
      2  -0.554488D+00  0.886199D+01 -0.409506D+01 -0.130478D+00 -0.158571D+01
      3  -0.726331D+01  0.341781D+00  0.109714D+02  0.188874D+01 -0.485066D+00
               106           107           108           109           110 
      1   0.209319D+01  0.105224D+02  0.265933D+01  0.658590D+00 -0.321112D+00
      2   0.697075D+01 -0.202329D+01 -0.175179D+01  0.148061D+01  0.265118D+01
      3   0.359158D+01 -0.414516D+00  0.629655D+00 -0.271443D+01 -0.126881D+02
               111           112           113           114           115 
      1   0.211606D+01 -0.904540D+00  0.556057D+00 -0.390755D+01  0.457393D+01
      2   0.484141D+00  0.107451D+01  0.303267D+01 -0.578858D+01 -0.791676D+01
      3  -0.238146D+01  0.455652D+01  0.913143D+00 -0.209452D+01 -0.323816D-02
               116           117           118           119           120 
      1   0.105841D+01 -0.114882D+01 -0.139639D+01 -0.346605D-01 -0.359786D+01
      2  -0.860239D+01 -0.398569D+01 -0.158052D+01  0.529714D+00 -0.206039D+01
      3  -0.247122D+01  0.452590D+01 -0.559277D+00 -0.256114D+00  0.554186D+00
               121           122           123           124           125 
      1   0.722544D+00 -0.544045D+00 -0.212358D+01 -0.650718D+01  0.312178D+01
      2   0.302039D+01 -0.637056D+00 -0.964348D+00 -0.121202D+02 -0.306234D+00
      3   0.245107D+01  0.467543D+01 -0.378193D+00 -0.139958D+01  0.661619D-01
               126           127           128           129           130 
      1  -0.837973D-01  0.267840D-01 -0.189881D+00  0.155776D+01  0.327226D-01
      2  -0.426275D+00  0.131978D+01 -0.976766D+00  0.192133D+00 -0.120302D+01
      3   0.527068D+01 -0.616621D+01  0.393779D+01  0.101961D+01  0.684566D+01
               131           132           133           134           135 
      1   0.716558D+00 -0.410488D+01 -0.407992D+00  0.221109D+01 -0.277681D+00
      2   0.190559D+01 -0.298236D+00 -0.186165D+01  0.541115D+00 -0.683756D-01
      3  -0.870290D+01 -0.193767D+01  0.136684D+01 -0.172228D+01 -0.349836D+00
               136           137           138           139           140 
      1   0.234304D+00  0.621954D+00 -0.224851D+01 -0.132690D+00  0.367514D+00
      2  -0.705502D-01  0.177589D-01  0.282342D+01  0.765259D+00  0.141437D+01
      3  -0.153579D+01 -0.487570D+01 -0.255477D+00 -0.345533D+01 -0.109447D+02
               141           142           143           144           145 
      1  -0.326058D+01  0.829037D+00  0.164068D+01 -0.346581D+00 -0.121393D+00
      2   0.342268D+01 -0.926438D+00 -0.289819D+00  0.458111D+00 -0.956275D+00
      3  -0.134277D+01 -0.873543D+00 -0.224011D+01 -0.346336D+00  0.560990D+00
               146           147           148           149           150 
      1  -0.207962D+00  0.636600D+00  0.746487D-01 -0.441736D-01 -0.406839D+00
      2  -0.326602D-01  0.604812D+01  0.151560D+01 -0.297579D+00 -0.913892D+00
      3  -0.532393D+01  0.115319D+00 -0.354476D+01  0.143138D+01  0.251826D+00
               151           152           153           154           155 
      1  -0.404445D+00  0.636174D+00  0.365118D-01 -0.175691D+00 -0.768033D-01
      2  -0.282289D+01  0.131541D+00 -0.153537D+00 -0.280142D+00  0.435128D+00
      3  -0.150605D+01  0.513968D+00  0.264348D-01  0.681779D+00 -0.242620D+01
               156           157           158           159           160 
      1   0.167816D+01  0.272746D+00  0.261504D+00 -0.436676D+01 -0.539974D+00
      2   0.151472D+01  0.486439D+00 -0.249369D+01 -0.310379D+01 -0.565106D+00
      3  -0.284013D+00 -0.124735D+01  0.136467D+02  0.228093D+01 -0.394528D+00
               161           162           163           164           165 
      1   0.202815D+01 -0.497371D+00  0.827904D+00  0.862606D+00 -0.208549D+01
      2   0.876406D-02 -0.536514D+00 -0.208797D+01 -0.949305D+00  0.836825D+00
      3   0.280870D+01  0.558433D+00  0.100948D+02  0.396762D+01  0.115086D-01
               166           167           168           169           170 
      1   0.223237D+00  0.203733D+00 -0.319540D+01  0.532314D+00  0.189697D+01
      2  -0.981735D+00 -0.121009D+01  0.134241D+01 -0.184639D+01 -0.381402D+00
      3   0.773956D+01  0.534205D+01  0.861635D+00  0.533985D-01  0.837938D+00
               171 
      1  -0.172077D-01
      2   0.244054D+00
      3   0.815593D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.203269D+02 -0.333195D+01  0.281164D+01 -0.312201D+01  0.458503D+01
      2  -0.141986D+02 -0.102976D+00 -0.758009D+01  0.380483D+00  0.398052D+01
      3  -0.612829D+01  0.343492D+01  0.476845D+01  0.274153D+01 -0.856555D+01
      4  -0.575047D+01  0.138503D+02 -0.257253D+01  0.162469D+02 -0.153777D+02
      5   0.163161D+02 -0.324522D+01  0.224248D+02 -0.733151D+01  0.310575D+01
      6  -0.490984D+01  0.508410D+01 -0.122790D+01  0.516119D+01 -0.100438D+02
                 6             7             8             9            10 
      1   0.762202D+01  0.252334D+01  0.495488D+01  0.299871D-01  0.725018D+01
      2   0.374855D+01 -0.121119D+02  0.338839D+01 -0.120012D+02 -0.355227D+01
      3  -0.113706D+02  0.958857D+01 -0.834327D+01  0.119712D+02 -0.369791D+01
      4   0.997883D+00 -0.531662D+01 -0.251679D+01 -0.142726D+02 -0.355488D+01
      5  -0.126602D+02  0.293848D+02 -0.121110D+02  0.225699D+02 -0.467831D+01
      6   0.366934D+01 -0.442172D+01  0.693459D+01 -0.124644D+02  0.366470D+01
                11            12            13            14            15 
      1  -0.322604D+01  0.595391D+00 -0.114634D+02  0.383142D+00  0.551650D+01
      2   0.164981D+01  0.116410D+01  0.875587D+01 -0.590836D+01 -0.982642D+01
      3   0.157623D+01 -0.175949D+01  0.270757D+01  0.552522D+01  0.430992D+01
      4  -0.136647D+02  0.588446D+01 -0.151477D+02  0.184144D+02  0.157892D+02
      5   0.636089D+01 -0.176600D+02  0.127902D+02  0.151223D+02 -0.449712D+00
      6   0.251742D+01  0.603732D-01  0.605621D+01 -0.563618D+01 -0.605854D+01
                16            17            18            19            20 
      1   0.586189D+00  0.545579D+01 -0.589555D+01 -0.162062D+01  0.219605D+01
      2   0.690818D+01 -0.569356D+01  0.702505D+01  0.319383D+00  0.177148D+00
      3  -0.749437D+01  0.237775D+00 -0.112951D+01  0.130124D+01 -0.237319D+01
      4   0.116962D+02  0.173446D+02  0.646954D+01  0.193415D+01 -0.320546D+01
      5  -0.324506D+02  0.562637D+01 -0.844183D+01  0.620582D+00 -0.363679D+00
      6   0.317455D+01 -0.105070D+02  0.453858D+01  0.179585D+01 -0.195539D+01
                21            22            23            24            25 
      1   0.526103D+01  0.447996D+01 -0.610921D+01 -0.570435D+01  0.422396D+01
      2   0.795825D+00 -0.233616D+01 -0.266389D+00 -0.351764D+01 -0.192979D+01
      3  -0.605686D+01 -0.214380D+01  0.637560D+01  0.922199D+01 -0.229418D+01
      4  -0.160246D+01 -0.495724D+00  0.876187D+01  0.719904D+01 -0.113128D+01
      5  -0.282838D+01  0.301690D+01  0.530616D+01  0.998530D+01  0.375982D+01
      6  -0.968842D+00 -0.936068D+00  0.681705D+01  0.726887D+01 -0.840870D+00
                26            27            28            29            30 
      1  -0.367765D+01 -0.848123D+01  0.241122D+01 -0.328686D+01 -0.186179D+01
      2  -0.255800D+01 -0.576459D+01  0.181712D+01  0.297825D+00  0.498715D+00
      3   0.623565D+01  0.142458D+02 -0.422834D+01  0.298903D+01  0.136308D+01
      4   0.597898D+01  0.543380D+01 -0.804503D+01  0.112326D+02  0.239759D+01
      5   0.404619D+01  0.114060D+02 -0.382653D+01  0.225668D+01  0.562544D+01
      6   0.564503D+01  0.438077D+01  0.306707D+01 -0.202183D+01 -0.801789D+00
                31            32            33            34            35 
      1  -0.217404D+01 -0.995328D+01 -0.312638D+01 -0.165398D+01 -0.396856D+01
      2  -0.213722D+01  0.192477D+02  0.499020D+01  0.159009D+00  0.350682D+01
      3   0.431126D+01 -0.929437D+01 -0.186382D+01  0.149497D+01  0.461741D+00
      4   0.130675D+02 -0.280576D+02 -0.838766D+01  0.321182D+01 -0.102829D+02
      5   0.290898D+01 -0.749410D+01 -0.726739D+01  0.681771D+01 -0.677649D+01
      6  -0.320851D+01  0.109796D+02  0.777848D+01 -0.261719D+01  0.917930D+01
                36            37            38            39            40 
      1  -0.344990D+01 -0.554100D+02  0.764028D+01  0.107839D+02  0.191678D+02
      2   0.138097D+01  0.323719D+02 -0.300614D+01  0.140628D+01 -0.118452D+02
      3   0.206892D+01  0.230381D+02 -0.463414D+01 -0.121902D+02 -0.732260D+01
      4  -0.761314D+01  0.970774D+01  0.106056D+02 -0.506283D+01  0.110382D+02
      5  -0.614689D+01  0.115617D+02 -0.767154D+01  0.154347D+02 -0.139428D+02
      6   0.649259D+01 -0.573209D+01 -0.412372D+01  0.618387D+01 -0.527517D+01
                41            42            43            44            45 
      1   0.821622D+01 -0.441383D+01  0.665808D+00 -0.289369D+01  0.260772D+02
      2  -0.161354D+02 -0.291918D+01  0.217905D+01 -0.641921D+01  0.800140D+00
      3   0.791922D+01  0.733301D+01 -0.284486D+01  0.931291D+01 -0.268774D+02
      4  -0.164335D+02 -0.172690D+02 -0.894052D+01 -0.168113D+02  0.185159D+01
      5  -0.183286D+02  0.155784D+01  0.150512D+02 -0.989156D+00  0.142285D+02
      6  -0.241619D+01  0.498119D+01  0.460977D+01  0.360136D+01  0.424029D+01
                46            47            48            49            50 
      1  -0.189886D+02  0.385044D+01  0.182299D+01  0.327212D+00 -0.928027D+01
      2   0.577250D+01 -0.278076D+01 -0.816100D+00  0.395976D+01  0.156437D+02
      3   0.132161D+02 -0.106969D+01 -0.100689D+01 -0.428697D+01 -0.636344D+01
      4  -0.974707D+00  0.498887D+01 -0.413075D+00 -0.106684D+02  0.200234D+01
      5   0.660896D+01 -0.565060D+00  0.316812D+01 -0.611694D+01 -0.133860D+01
      6  -0.266559D+01  0.136953D-01 -0.249923D+01  0.180619D+01  0.465282D+01
                51            52            53            54            55 
      1  -0.939151D+00  0.237457D+00 -0.154518D+01 -0.779902D+01  0.545349D+01
      2   0.686903D+01  0.307083D+01  0.319273D+01 -0.298805D+01 -0.764438D-01
      3  -0.592988D+01 -0.330829D+01 -0.164755D+01  0.107871D+02 -0.537705D+01
      4  -0.159278D+01 -0.419490D+01 -0.136030D+01 -0.282913D+00  0.336523D+01
      5   0.873131D-01  0.563622D+01 -0.354217D+00  0.717300D-01  0.103322D+01
      6  -0.252347D+01 -0.865709D+00  0.567704D+01 -0.257859D+01  0.972996D+00
                56            57            58            59            60 
      1   0.356892D+01  0.177604D+00  0.583304D+01 -0.100540D+02 -0.842888D+00
      2  -0.135018D+01 -0.822382D+00 -0.965069D+00  0.266144D+02  0.599535D+01
      3  -0.221874D+01  0.644778D+00 -0.486797D+01 -0.165604D+02 -0.515246D+01
      4   0.310172D+01  0.192076D+01  0.984390D+01  0.330045D+02  0.590366D+01
      5   0.782646D+00 -0.129068D+01 -0.117722D+01  0.674906D+01  0.860982D+01
      6   0.392278D+00 -0.113135D+01 -0.890257D+00 -0.376585D+01  0.438965D+01
                61            62            63            64            65 
      1   0.419085D+01 -0.334175D+00 -0.497380D+01 -0.787513D+00  0.732479D+00
      2  -0.194471D+01  0.600131D+01  0.366109D+01 -0.322948D+01 -0.426332D+00
      3  -0.224614D+01 -0.566714D+01  0.131270D+01  0.401699D+01 -0.306147D+00
      4   0.489074D+01  0.111395D+02  0.585010D+01 -0.171914D+01 -0.157863D+01
      5  -0.219417D+00  0.638640D+01  0.449214D+01 -0.182846D+01  0.106171D+01
      6  -0.139543D+00  0.376944D+01  0.258582D+01 -0.874963D+00  0.245988D+01
                66            67            68            69            70 
      1  -0.112054D+02 -0.154576D+01 -0.556858D+01  0.297023D+01 -0.869221D+01
      2  -0.409994D+00  0.959560D+00  0.223255D+01 -0.138203D+01  0.419564D+01
      3   0.116154D+02  0.586201D+00  0.333602D+01 -0.158821D+01  0.449657D+01
      4  -0.538318D+00  0.761024D+00  0.305237D+01 -0.344093D+01 -0.299993D+01
      5  -0.221326D+01  0.989287D+00 -0.262188D+01  0.219680D+01  0.722391D+01
      6  -0.288323D+01  0.616163D+00 -0.236071D+01  0.787526D+01 -0.108137D+00
                71            72            73            74            75 
      1   0.395410D+01 -0.279768D+02  0.895524D+02 -0.505838D+01 -0.738050D+01
      2  -0.122097D+00 -0.146964D+02 -0.495085D+02  0.386208D+01  0.652368D+01
      3  -0.383200D+01  0.426732D+02 -0.400438D+02  0.119630D+01  0.856825D+00
      4  -0.487683D+01  0.270832D+01  0.349270D+01  0.105122D+02 -0.414836D+00
      5   0.498729D+01 -0.346739D+02 -0.256250D+02  0.113441D+01  0.132881D+02
      6   0.753822D+01 -0.127627D+02  0.122639D+01 -0.280744D+01  0.860297D+00
                76            77            78            79            80 
      1  -0.155342D+02  0.743468D+01  0.147060D+01 -0.384048D-01  0.278573D+00
      2   0.939147D+01 -0.193693D+01 -0.118513D+01  0.231786D+01  0.405459D+00
      3   0.614272D+01 -0.549775D+01 -0.285475D+00 -0.227945D+01 -0.684032D+00
      4   0.102445D+02 -0.246022D+01  0.691678D+00  0.725614D+00  0.146788D+01
      5   0.579479D+01 -0.699874D+00 -0.357674D+01  0.120952D+02 -0.735306D+00
      6  -0.262889D+01  0.139507D+01  0.821025D+00  0.432090D+00  0.915647D+00
                81            82            83            84            85 
      1   0.520697D+01  0.127105D+02  0.116425D+02  0.170604D+01 -0.446345D+00
      2  -0.563395D+01 -0.936833D+01 -0.821033D+01  0.132425D+01  0.846093D+01
      3   0.426978D+00 -0.334213D+01 -0.343218D+01 -0.303029D+01 -0.801459D+01
      4  -0.360064D+00  0.734962D+01 -0.179009D+02 -0.308197D+01  0.102708D+02
      5  -0.546709D+01 -0.158313D+01 -0.269519D+01 -0.541632D+01  0.894774D+00
      6  -0.578150D+00 -0.133152D+01  0.364099D+00 -0.433095D+01  0.453584D+01
                86            87            88            89            90 
      1   0.906184D+01  0.399692D+01 -0.183335D+01  0.399762D+01 -0.149092D+02
      2  -0.145428D+02 -0.655495D+01  0.386998D+01 -0.962201D+01  0.519811D+00
      3   0.548101D+01  0.255803D+01 -0.203663D+01  0.562439D+01  0.143894D+02
      4   0.141468D+02  0.162743D+01 -0.297991D+00  0.191167D+01  0.668906D+01
      5   0.181709D+01  0.137683D+01  0.434721D+01  0.566027D+01  0.335844D+01
      6  -0.852288D+01  0.572673D+01 -0.198480D+01  0.140429D+02  0.376202D+01
                91            92            93            94            95 
      1  -0.957134D+00 -0.245432D+02 -0.580955D+01  0.264232D+02  0.476243D+01
      2  -0.152089D+01  0.152537D+02 -0.611656D-01 -0.263962D+02 -0.841813D+01
      3   0.247802D+01  0.928956D+01  0.587071D+01 -0.269443D-01  0.365570D+01
      4  -0.165473D+02  0.281499D+01  0.110270D+01  0.120715D+01 -0.108111D+02
      5  -0.696246D+00  0.208214D+00  0.551019D+01 -0.455030D+01 -0.776306D+01
      6   0.441136D-01  0.150371D+01  0.699818D+01 -0.699499D+01 -0.686037D+01
                96            97            98            99           100 
      1   0.119331D+01  0.573577D+01  0.226344D+01  0.171652D+01 -0.151352D+02
      2  -0.176611D+01 -0.862203D+01 -0.650121D+01 -0.930810D+01  0.853012D+01
      3   0.572798D+00  0.288626D+01  0.423777D+01  0.759157D+01  0.660506D+01
      4  -0.849529D+01 -0.298465D+01 -0.823708D+01  0.131595D+02  0.280415D+01
      5   0.135293D+02  0.196101D+02  0.137711D+02  0.863472D+01  0.268053D+01
      6   0.467747D+01  0.634311D+01  0.119964D+02 -0.749422D-01  0.549340D+00
               101           102           103           104           105 
      1   0.507900D+01  0.316992D+01 -0.924771D+01 -0.210928D+02 -0.739971D+01
      2  -0.340681D+01 -0.822758D+00  0.878212D+01  0.193756D+02  0.965291D+01
      3  -0.167218D+01 -0.234716D+01  0.465589D+00  0.171720D+01 -0.225320D+01
      4   0.225736D+02  0.135775D+00 -0.203388D+02  0.377329D+01  0.329225D+01
      5  -0.995399D-01  0.203134D+02 -0.108615D+02  0.122379D+01 -0.279126D+01
      6   0.274559D+00 -0.269132D+01  0.294927D+01  0.498174D+01 -0.484782D+01
               106           107           108           109           110 
      1   0.101057D+01 -0.711080D+01  0.126499D+02  0.110425D+02  0.216416D+02
      2   0.136477D+01  0.541713D+01 -0.160834D+02 -0.968413D+01 -0.139063D+02
      3  -0.237534D+01  0.169367D+01  0.343353D+01 -0.135835D+01 -0.773530D+01
      4  -0.116735D+02  0.172570D+01 -0.286215D+01  0.167658D+02 -0.680628D+01
      5   0.345681D+02 -0.291883D+01 -0.319906D+01  0.403940D+01 -0.114149D+01
      6  -0.206332D+01  0.659123D+01 -0.410068D+01 -0.382141D+01 -0.779666D-01
               111           112           113           114           115 
      1   0.364325D+01 -0.203375D+02  0.114381D+02  0.330710D+01 -0.415445D+01
      2  -0.323302D+00  0.193001D+02 -0.166789D+02 -0.659737D+01  0.650993D+01
      3  -0.331995D+01  0.103747D+01  0.524077D+01  0.329027D+01 -0.235548D+01
      4  -0.242753D+01  0.116528D+02  0.434056D+01  0.621853D+01 -0.156520D+01
      5  -0.190420D+01 -0.500001D+00  0.665819D+01 -0.122623D+02  0.131084D+02
      6  -0.476821D+01  0.475373D+01 -0.103856D+02  0.737325D+01 -0.533913D+01
               116           117           118           119           120 
      1   0.165448D+01 -0.580846D+01 -0.157849D+01 -0.184568D+02 -0.423387D+01
      2  -0.853487D+01 -0.509471D+01 -0.405026D+00  0.132707D+02 -0.379030D+00
      3   0.688039D+01  0.109032D+02  0.198351D+01  0.518613D+01  0.461290D+01
      4   0.831357D+01 -0.133406D+02 -0.123571D+02 -0.111292D+02 -0.528576D+00
      5  -0.138347D+02 -0.813746D+01 -0.331173D+01 -0.103163D+01 -0.328871D+01
      6   0.149378D+02  0.319683D+01  0.165452D+01  0.408492D+00  0.741956D+01
               121           122           123           124           125 
      1   0.498737D+01  0.310121D+01  0.319881D+01  0.645383D+00  0.414574D+01
      2  -0.142897D+02 -0.621831D+01 -0.318554D+01 -0.596751D+01 -0.633680D+01
      3   0.930232D+01  0.311711D+01 -0.132725D-01  0.532213D+01  0.219106D+01
      4   0.470324D+01 -0.143333D+02 -0.228308D+01  0.217848D+01 -0.149223D+01
      5   0.253382D+01 -0.212593D+01  0.118470D+01  0.215856D+01 -0.189343D+01
      6  -0.660655D+01 -0.515426D+01  0.459276D+01  0.505709D+01  0.107966D+02
               126           127           128           129           130 
      1  -0.144366D+02 -0.527806D+01  0.906448D+01  0.201360D+01  0.771550D+01
      2   0.114405D+01  0.688884D+01 -0.109433D+02 -0.151205D+01 -0.948917D+01
      3   0.132926D+02 -0.161078D+01  0.187883D+01 -0.501559D+00  0.177367D+01
      4  -0.324293D+01 -0.373519D+01  0.736993D+01  0.113655D+01  0.506019D+01
      5   0.403935D+00 -0.810051D+00  0.116021D+01  0.151008D+01  0.896215D+00
      6   0.274056D+00  0.204758D+01 -0.266340D+01 -0.244520D+01 -0.246468D+01
               131           132           133           134           135 
      1  -0.335217D+02 -0.638456D+01  0.171628D+01 -0.647230D+01 -0.277096D+01
      2   0.446916D+02  0.595783D+01 -0.206457D+01  0.775024D+01  0.342969D+01
      3  -0.111700D+02  0.426739D+00  0.348298D+00 -0.127793D+01 -0.658728D+00
      4   0.633759D+00  0.476340D+00  0.104041D+01  0.170215D+00 -0.138241D+01
      5   0.714906D+00 -0.995214D-01  0.465196D+00 -0.545681D+00 -0.495725D+00
      6   0.106703D+02  0.787948D+01 -0.822353D+00  0.406517D+01  0.245289D+01
               136           137           138           139           140 
      1   0.221376D+02  0.139170D+02  0.234929D+01  0.908622D+01  0.363339D+01
      2  -0.415437D+01  0.868055D+00 -0.897448D+00  0.610503D+01  0.163362D+02
      3  -0.179832D+02 -0.147851D+02 -0.145185D+01 -0.151912D+02 -0.199696D+02
      4   0.329620D+02  0.303143D+02  0.400218D+01  0.333200D+02  0.434864D+02
      5   0.616051D+01  0.459325D+01  0.604592D+01  0.632407D+01  0.740950D+01
      6   0.253185D+01  0.212972D+01  0.327094D+01  0.395986D+01  0.563945D+01
               141           142           143           144           145 
      1   0.682094D+00  0.136960D+01  0.193657D+00  0.801450D-01  0.997794D+02
      2   0.703447D+00  0.881541D+00  0.246049D+01  0.117687D+01 -0.558320D+02
      3  -0.138554D+01 -0.225114D+01 -0.265414D+01 -0.125701D+01 -0.439474D+02
      4   0.638178D+01  0.574650D+01  0.716720D+01  0.340390D+01 -0.153266D+02
      5   0.589193D+01  0.256318D+01  0.281892D+01  0.161971D+01 -0.497091D+01
      6   0.591944D+01  0.195895D+01  0.271219D+01  0.184183D+01 -0.197487D+01
               146           147           148           149           150 
      1  -0.925291D+01 -0.412410D+01 -0.799771D+01  0.954475D+01  0.157450D+01
      2   0.449290D+01  0.268810D+01  0.337706D+01 -0.421714D+01 -0.127168D+01
      3   0.476001D+01  0.143600D+01  0.462066D+01 -0.532761D+01 -0.302814D+00
      4   0.984935D+01  0.470198D+00  0.157259D+02 -0.461605D+01 -0.962832D+00
      5   0.258110D+00  0.978362D+01  0.311066D+01 -0.847032D+00 -0.133844D+01
      6  -0.338630D-01 -0.699618D+00 -0.412012D+00 -0.393504D-01  0.143252D+01
               151           152           153           154           155 
      1  -0.430035D+01  0.165002D+01  0.338252D+01  0.519866D+01 -0.441560D+01
      2   0.225324D+01 -0.861617D+00 -0.191537D+01  0.368568D+01 -0.555121D+01
      3   0.204712D+01 -0.788408D+00 -0.146715D+01 -0.888434D+01  0.996681D+01
      4   0.331926D+01 -0.105166D+01 -0.711462D+00 -0.184628D+02  0.232711D+02
      5   0.228250D+01 -0.425826D+00 -0.636935D+00 -0.352158D+01  0.396676D+01
      6  -0.138228D+00  0.411249D+00  0.329153D+00  0.268979D+01 -0.307449D+01
               156           157           158           159           160 
      1  -0.891337D+00  0.113957D+01 -0.162317D+02 -0.309490D+01  0.165023D+00
      2  -0.368167D+00 -0.116889D+02  0.387095D+02  0.499840D+01 -0.192631D+01
      3   0.125950D+01  0.105494D+02 -0.224778D+02 -0.190351D+01  0.176128D+01
      4   0.438619D+01  0.240985D+02 -0.471170D+02 -0.864635D+01  0.508353D+01
      5   0.414154D+01  0.435391D+01 -0.780123D+01 -0.557969D+01  0.196432D+01
      6  -0.268320D+01 -0.440633D+01  0.108674D+02  0.830069D+01 -0.205395D+01
               161           162           163           164           165 
      1  -0.286690D+01 -0.161026D+01 -0.385279D+01 -0.649416D+01 -0.110238D+01
      2   0.665927D+01  0.293980D+01  0.601734D+01  0.917879D+01  0.728653D+00
      3  -0.379237D+01 -0.132955D+01 -0.216455D+01 -0.268462D+01  0.373731D+00
      4  -0.973589D+01 -0.358330D+01  0.904195D+01  0.854270D+01  0.782421D+00
      5  -0.260465D+01 -0.181039D+01  0.125326D+00  0.607176D+00  0.195074D+01
      6   0.411334D+01  0.278602D+01  0.106608D+01  0.161015D+01  0.233763D+01
               166           167           168           169           170 
      1  -0.792446D+01 -0.201774D+02 -0.334411D+01 -0.126036D+01 -0.339684D+01
      2   0.109421D+02  0.271468D+02  0.272593D+01  0.199392D+01  0.414973D+01
      3  -0.301768D+01 -0.696946D+01  0.618179D+00 -0.733565D+00 -0.752891D+00
      4   0.860066D+01  0.854051D+01  0.794435D+00  0.121203D+01  0.114571D+01
      5   0.866629D+00  0.913494D+00  0.160541D+01  0.824248D+00  0.842963D+00
      6   0.227934D+01  0.475843D+01  0.533874D+01  0.769575D+00  0.232166D+01
               171 
      1  -0.761501D+00
      2   0.167836D+01
      3  -0.916856D+00
      4   0.208565D+01
      5   0.518598D+00
      6   0.125531D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:36:07 2021, MaxMem=  5368709120 cpu:           14612.1 elap:            1831.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.47175 -10.49261 -10.45230 -10.44929 -10.44863
 Alpha  occ. eigenvalues --  -10.44808 -10.44738 -10.44624 -10.42898  -1.15954
 Alpha  occ. eigenvalues --   -1.01084  -0.92211  -0.89272  -0.86676  -0.77430
 Alpha  occ. eigenvalues --   -0.74015  -0.71439  -0.65693  -0.60539  -0.59280
 Alpha  occ. eigenvalues --   -0.56754  -0.55518  -0.54092  -0.53687  -0.51355
 Alpha  occ. eigenvalues --   -0.49354  -0.48094  -0.47204  -0.44840  -0.42949
 Alpha  occ. eigenvalues --   -0.39045  -0.35852  -0.35204
 Alpha virt. eigenvalues --   -0.01272  -0.00419  -0.00230   0.00753   0.01352
 Alpha virt. eigenvalues --    0.01453   0.02435   0.03488   0.03832   0.04646
 Alpha virt. eigenvalues --    0.04907   0.06208   0.06458   0.06772   0.07601
 Alpha virt. eigenvalues --    0.08436   0.09359   0.10236   0.10295   0.10390
 Alpha virt. eigenvalues --    0.10869   0.11416   0.11794   0.12176   0.12335
 Alpha virt. eigenvalues --    0.12722   0.13277   0.13892   0.14189   0.14778
 Alpha virt. eigenvalues --    0.14837   0.15237   0.15500   0.15818   0.16575
 Alpha virt. eigenvalues --    0.18491   0.19670   0.20599   0.23019   0.23147
 Alpha virt. eigenvalues --    0.23868   0.24288   0.25650   0.25815   0.26128
 Alpha virt. eigenvalues --    0.26943   0.27227   0.27764   0.28972   0.29144
 Alpha virt. eigenvalues --    0.29953   0.30266   0.30873   0.31344   0.32116
 Alpha virt. eigenvalues --    0.32267   0.32942   0.33856   0.34548   0.35184
 Alpha virt. eigenvalues --    0.35480   0.37004   0.38081   0.38477   0.38868
 Alpha virt. eigenvalues --    0.39231   0.40431   0.40801   0.42497   0.42513
 Alpha virt. eigenvalues --    0.43558   0.44082   0.44655   0.45516   0.46373
 Alpha virt. eigenvalues --    0.47623   0.48606   0.49239   0.49866   0.50122
 Alpha virt. eigenvalues --    0.51228   0.51774   0.52523   0.53209   0.53407
 Alpha virt. eigenvalues --    0.54055   0.54884   0.55630   0.56369   0.57978
 Alpha virt. eigenvalues --    0.58139   0.59057   0.59425   0.59841   0.60206
 Alpha virt. eigenvalues --    0.60877   0.61833   0.62215   0.63090   0.63793
 Alpha virt. eigenvalues --    0.64909   0.65343   0.65881   0.66482   0.67269
 Alpha virt. eigenvalues --    0.68161   0.68701   0.68904   0.69606   0.70493
 Alpha virt. eigenvalues --    0.70945   0.71851   0.72291   0.73128   0.74519
 Alpha virt. eigenvalues --    0.75431   0.75812   0.76980   0.78256   0.79444
 Alpha virt. eigenvalues --    0.80581   0.81595   0.82832   0.83013   0.83394
 Alpha virt. eigenvalues --    0.84408   0.85083   0.85521   0.86221   0.87219
 Alpha virt. eigenvalues --    0.87569   0.89580   0.90034   0.91210   0.92770
 Alpha virt. eigenvalues --    0.93579   0.94072   0.96624   0.97488   1.00467
 Alpha virt. eigenvalues --    1.02044   1.03783   1.04469   1.06151   1.07813
 Alpha virt. eigenvalues --    1.08514   1.10372   1.12690   1.13122   1.15238
 Alpha virt. eigenvalues --    1.18352   1.19717   1.20901   1.23732   1.27361
 Alpha virt. eigenvalues --    1.29343   1.34454   1.36141   1.36623   1.38886
 Alpha virt. eigenvalues --    1.40075   1.40797   1.41920   1.43641   1.44316
 Alpha virt. eigenvalues --    1.45695   1.46168   1.47270   1.47947   1.48359
 Alpha virt. eigenvalues --    1.50604   1.50904   1.55584   1.57196   1.58097
 Alpha virt. eigenvalues --    1.59341   1.59491   1.60899   1.61478   1.62810
 Alpha virt. eigenvalues --    1.64955   1.66738   1.67182   1.68905   1.71026
 Alpha virt. eigenvalues --    1.72650   1.73838   1.75339   1.76716   1.77373
 Alpha virt. eigenvalues --    1.78355   1.78613   1.79233   1.81881   1.82641
 Alpha virt. eigenvalues --    1.83597   1.85266   1.88862   1.89169   1.91360
 Alpha virt. eigenvalues --    1.92697   1.94044   1.95340   1.95618   1.96397
 Alpha virt. eigenvalues --    1.97627   2.00296   2.01847   2.04264   2.05605
 Alpha virt. eigenvalues --    2.07341   2.08376   2.09331   2.09938   2.11950
 Alpha virt. eigenvalues --    2.13855   2.15183   2.15999   2.17957   2.19144
 Alpha virt. eigenvalues --    2.20545   2.22400   2.22689   2.24595   2.26829
 Alpha virt. eigenvalues --    2.28261   2.29633   2.35194   2.37288   2.38399
 Alpha virt. eigenvalues --    2.43846   2.45011   2.49157   2.53104   2.55012
 Alpha virt. eigenvalues --    2.56730   2.57565   2.58853   2.60400   2.61704
 Alpha virt. eigenvalues --    2.64696   2.68867   2.72824   2.75737   2.77345
 Alpha virt. eigenvalues --    2.79052   2.84730   2.88662   2.92014   2.95129
 Alpha virt. eigenvalues --    2.99804   3.07197   3.10439   3.13435   3.32032
 Alpha virt. eigenvalues --    3.41419   3.52609   3.54025   3.58614   3.60056
 Alpha virt. eigenvalues --    3.63028   3.71621   4.04147   4.53027
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    7.940909   0.057405   0.323450   0.010796  -0.038050  -0.131032
     2  C    0.057405  12.132143  -0.139927  -1.434631   0.333314  -0.107125
     3  H    0.323450  -0.139927   0.674632   0.035201  -0.050705   0.003321
     4  H    0.010796  -1.434631   0.035201   2.274257   0.012673   0.431639
     5  C   -0.038050   0.333314  -0.050705   0.012673   4.941857   0.045754
     6  C   -0.131032  -0.107125   0.003321   0.431639   0.045754  23.805510
     7  H    0.030877  -0.174093   0.004820   0.067124   0.373248   0.208387
     8  H    0.016342   0.145727   0.000219  -0.082470   0.277528  -0.321748
     9  H   -0.037349   0.166667  -0.003729  -0.037454   0.107246   0.175755
    10  C    0.128458  -4.619267   0.024245   0.358456  -0.191655 -12.758614
    11  C   -0.044803   0.194724   0.016073   0.033251   0.062698   4.294016
    12  C    0.025839  -0.250423  -0.006174   0.014802  -0.067936  -6.412961
    13  C   -0.032787   0.190538   0.017480  -0.043958   0.122978   4.754387
    14  C    0.076323  -1.213775   0.018233  -0.051824  -0.505405 -11.087196
    15  H   -0.001590   0.334133   0.005942  -0.096221  -0.005802   1.217998
    16  H   -0.000934   0.016770   0.000715  -0.002094   0.005545  -0.211511
    17  H    0.000583  -0.013318   0.000046   0.001893  -0.002028   0.077019
    18  H   -0.001462   0.030209  -0.001692   0.000044   0.000835  -0.275232
    19  H   -0.025847   0.250540  -0.002964   0.012994   0.067649   0.968751
               7          8          9         10         11         12
     1  O    0.030877   0.016342  -0.037349   0.128458  -0.044803   0.025839
     2  C   -0.174093   0.145727   0.166667  -4.619267   0.194724  -0.250423
     3  H    0.004820   0.000219  -0.003729   0.024245   0.016073  -0.006174
     4  H    0.067124  -0.082470  -0.037454   0.358456   0.033251   0.014802
     5  C    0.373248   0.277528   0.107246  -0.191655   0.062698  -0.067936
     6  C    0.208387  -0.321748   0.175755 -12.758614   4.294016  -6.412961
     7  H    1.483373  -0.151908  -0.412851   0.017483   0.031392  -0.031671
     8  H   -0.151908   1.524502  -0.285803  -0.020932  -0.001380  -0.000365
     9  H   -0.412851  -0.285803   1.452914  -0.059756  -0.005213   0.000097
    10  C    0.017483  -0.020932  -0.059756  29.615377  -7.466577   6.245916
    11  C    0.031392  -0.001380  -0.005213  -7.466577  16.998261  -7.425861
    12  C   -0.031671  -0.000365   0.000097   6.245916  -7.425861  15.246767
    13  C   -0.000416   0.016111   0.016419  -7.252809   6.284884  -7.366621
    14  C   -0.142531   0.038846  -0.004757   3.064288  -6.610356   5.838901
    15  H    0.001310   0.010533  -0.005227  -2.394941   0.388165  -0.147353
    16  H    0.000204  -0.001178   0.000801   0.915130  -1.516825   0.684805
    17  H   -0.000058   0.000072  -0.000086  -0.130791   0.742225  -1.490609
    18  H    0.000260  -0.000124   0.000374   0.130666  -0.292335   0.686783
    19  H   -0.098808  -0.030414   0.020428  -0.034491   0.072759  -0.151337
              13         14         15         16         17         18
     1  O   -0.032787   0.076323  -0.001590  -0.000934   0.000583  -0.001462
     2  C    0.190538  -1.213775   0.334133   0.016770  -0.013318   0.030209
     3  H    0.017480   0.018233   0.005942   0.000715   0.000046  -0.001692
     4  H   -0.043958  -0.051824  -0.096221  -0.002094   0.001893   0.000044
     5  C    0.122978  -0.505405  -0.005802   0.005545  -0.002028   0.000835
     6  C    4.754387 -11.087196   1.217998  -0.211511   0.077019  -0.275232
     7  H   -0.000416  -0.142531   0.001310   0.000204  -0.000058   0.000260
     8  H    0.016111   0.038846   0.010533  -0.001178   0.000072  -0.000124
     9  H    0.016419  -0.004757  -0.005227   0.000801  -0.000086   0.000374
    10  C   -7.252809   3.064288  -2.394941   0.915130  -0.130791   0.130666
    11  C    6.284884  -6.610356   0.388165  -1.516825   0.742225  -0.292335
    12  C   -7.366621   5.838901  -0.147353   0.684805  -1.490609   0.686783
    13  C   18.530952  -8.630699   0.043590  -0.224751   0.732419  -1.675722
    14  C   -8.630699  25.597353   0.081520   0.089564  -0.141752   1.168658
    15  H    0.043590   0.081520   2.447845  -0.122811  -0.024506   0.013127
    16  H   -0.224751   0.089564  -0.122811   1.940120  -0.071657  -0.029131
    17  H    0.732419  -0.141752  -0.024506  -0.071657   1.912197  -0.069378
    18  H   -1.675722   1.168658   0.013127  -0.029131  -0.069378   1.989687
    19  H    0.460964  -2.539440  -0.038996   0.015914  -0.029321  -0.142987
              19
     1  O   -0.025847
     2  C    0.250540
     3  H   -0.002964
     4  H    0.012994
     5  C    0.067649
     6  C    0.968751
     7  H   -0.098808
     8  H   -0.030414
     9  H    0.020428
    10  C   -0.034491
    11  C    0.072759
    12  C   -0.151337
    13  C    0.460964
    14  C   -2.539440
    15  H   -0.038996
    16  H    0.015914
    17  H   -0.029321
    18  H   -0.142987
    19  H    3.081449
 Mulliken charges:
               1
     1  O   -0.297128
     2  C    0.100389
     3  H    0.080815
     4  H   -0.504478
     5  C    0.510254
     6  C    1.322882
     7  H   -0.206141
     8  H   -0.133558
     9  H   -0.088477
    10  C    0.429815
    11  C    0.244902
    12  C    0.607401
    13  C    0.057039
    14  C    0.954051
    15  H   -0.706716
    16  H   -0.488675
    17  H   -0.492949
    18  H   -0.532582
    19  H   -0.856844
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.216313
     2  C   -0.404088
     5  C    0.082078
     6  C    1.322882
    10  C   -0.276901
    11  C   -0.243773
    12  C    0.114452
    13  C   -0.475543
    14  C    0.097207
 Electronic spatial extent (au):  <R**2>=           1273.6890
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1283    Y=              1.1461    Z=             -0.7496  Tot=              1.7744
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -53.8380   YY=            -50.5166   ZZ=            -57.0795
   XY=              2.8535   XZ=             -3.0502   YZ=              4.3758
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0266   YY=              3.2948   ZZ=             -3.2682
   XY=              2.8535   XZ=             -3.0502   YZ=              4.3758
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -17.9531  YYY=             -1.9227  ZZZ=              7.5520  XYY=             -2.4204
  XXY=              4.9286  XXZ=             -6.9303  XZZ=              8.6637  YZZ=              3.3563
  YYZ=              0.0647  XYZ=              4.1144
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1153.5991 YYYY=           -331.0802 ZZZZ=           -173.2383 XXXY=              8.4691
 XXXZ=            -20.0900 YYYX=             -3.5000 YYYZ=             11.3906 ZZZX=             13.3544
 ZZZY=              3.0334 XXYY=           -246.3763 XXZZ=           -247.1907 YYZZ=            -97.4832
 XXYZ=             18.8721 YYXZ=             -0.1864 ZZXY=              6.9936
 N-N= 4.248829512949D+02 E-N=-1.746897816712D+03  KE= 3.834224128117D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:36:08 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.14971907D-01 4.30441933D-01-2.36946877D-01
 Polarizability= 1.20315009D+02 6.58091285D-01 9.70346880D+01
                -1.68596022D+00 5.91441758D+00 6.67553385D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.8555    0.8528        0.4694    0.4751
 2     -0.8555   -0.8528       -2.7852   -2.7884      -12.2386  -12.2243
 3     -0.4694   -0.4751       27.3039   27.2978        2.7854    2.7884
 4      2.7852    2.7884        0.0000    0.0000       -0.4682   -0.4751
 5    -15.0653  -15.0735        0.4682    0.4751        0.8549    0.8528
 6     -2.7854   -2.7884       -0.8549   -0.8528       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.5585   -2.5585        1.4252    1.4252
 2      8.3651    8.3651       -0.0000    0.0000        1.4252    1.4252
 3      8.3651    8.3651       -2.5585   -2.5585        0.0000    0.0000
 4     -2.5585   -2.5585       -8.3651   -8.3651      -36.6730  -36.6730
 5     -1.4252   -1.4252       81.8935   81.8935        8.3651    8.3651
 6    -45.2205  -45.2205        1.4252    1.4252        2.5585    2.5585
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2006    0.0000       -3.5969   -3.4114       -1.9290   -1.9003
 2      3.0595    3.4114       11.0073   11.1534       48.4074   48.8974
 3      1.8283    1.9003     -108.9865 -109.1913      -11.2358  -11.1534
 4    -10.6785  -11.1534       -0.0308    0.0000        1.9869    1.9003
 5     60.5509   60.2940       -2.3182   -1.9003       -2.9493   -3.4114
 6     11.3741   11.1534        3.2097    3.4114        0.0565    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1613    0.0000       -0.7374   -0.5238       -3.1244   -3.2586
 2      0.6296    0.5238       46.4164   46.9901       20.4636   20.9989
 3      3.6991    3.2586       18.5315   18.3630      -46.7668  -46.9901
 4    -46.5680  -46.9901        0.0771    0.0000        3.4213    3.2586
 5    -38.0891  -39.3619       -2.6964   -3.2586        0.3053   -0.5238
 6     46.4197   46.9901        0.4334    0.5238       -1.0507    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -27.0202  -26.9055       -4.9635   -5.3174       -3.4397   -3.4600
 2   -101.8559 -102.2694       -1.7000   -2.1311       -3.5668   -3.4600
 3   -102.0212 -102.2694       -4.9543   -5.3174        0.4125    0.4873
 4     -2.9207   -3.1863       75.1690   75.3638       28.9785   29.2541
 5      4.1912    3.9473       32.8544   32.7458      -76.8225  -75.3638
 6    -60.5910  -61.9998       -3.4044   -3.9473        2.9293    3.1863
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0006    0.0006    0.0010    1.8448    3.3336    7.6452
 Low frequencies ---   16.5561  125.3398  198.2235
 Diagonal vibrational polarizability:
       68.2989721      24.6285691      65.0950305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     16.5296               125.3396               198.2231
 Red. masses --      3.4791                 3.5210                 1.2501
 Frc consts  --      0.0006                 0.0326                 0.0289
 IR Inten    --      0.6745                 1.3222                90.6047
 RamAct Fr= 1--      3.3861                 4.0710                 0.5895
  Dep-P Fr= 1--      0.7498                 0.7500                 0.5648
  Dep-U Fr= 1--      0.8570                 0.8571                 0.7219
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0021
 Beta2  Fr= 1--      0.4837                 0.5816                 0.0709
 AlphaG Fr= 1--      0.0001                -0.0000                 0.0129
 Gamma2 Fr= 1--      0.1072                 0.0963                 0.5041
 Delta2 Fr= 1--      0.0817                 0.0764                 0.0820
 Raman1 Fr= 1--      13.545                 16.284                  2.358
 ROA1   Fr= 1--      12.903                 11.684                 51.015
 CID1   Fr= 1--       0.953                  0.717                 21.636
 Raman2 Fr= 1--       5.804                  6.979                  0.851
 ROA2   Fr= 1--       1.919                  1.699                 11.443
 CID2   Fr= 1--       0.331                  0.243                 13.445
 Raman3 Fr= 1--      11.608                 13.958                  1.702
 ROA3   Fr= 1--      12.903                 11.684                 51.015
 CID3   Fr= 1--       1.112                  0.837                 29.971
 RC180  Fr= 1--       0.714                  0.714                  0.444
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04   0.21   0.07     0.21  -0.09  -0.06    -0.02  -0.05   0.00
     2   6    -0.00  -0.03   0.06    -0.00  -0.01   0.04    -0.01   0.01   0.01
     3   1     0.06   0.30  -0.05     0.47  -0.01  -0.01     0.80   0.48  -0.22
     4   1    -0.00  -0.11   0.23    -0.05   0.02  -0.04    -0.05  -0.01   0.03
     5   6    -0.05  -0.16  -0.15    -0.15   0.06  -0.02     0.06  -0.04   0.01
     6   6    -0.00  -0.04   0.05    -0.01  -0.02   0.18    -0.01   0.05  -0.01
     7   1    -0.10  -0.07  -0.34    -0.05   0.02   0.09     0.10  -0.03  -0.00
     8   1    -0.07  -0.37  -0.16    -0.37   0.17   0.06     0.07  -0.02   0.01
     9   1    -0.04  -0.11  -0.11    -0.15   0.06  -0.27     0.04  -0.10   0.02
    10   6    -0.02   0.01  -0.12    -0.01  -0.02   0.15     0.01   0.04  -0.02
    11   6    -0.02   0.03  -0.17    -0.02   0.02  -0.05     0.01  -0.01  -0.00
    12   6     0.00   0.01  -0.04    -0.03   0.05  -0.20    -0.02  -0.03   0.02
    13   6     0.02  -0.03   0.13    -0.02   0.02  -0.09    -0.05  -0.01   0.01
    14   6     0.02  -0.05   0.17    -0.02  -0.01   0.11    -0.04   0.04  -0.01
    15   1    -0.03   0.02  -0.22    -0.01  -0.03   0.21     0.04   0.05  -0.03
    16   1    -0.03   0.07  -0.29    -0.02   0.03  -0.11     0.03  -0.03  -0.00
    17   1     0.00   0.03  -0.07    -0.03   0.08  -0.39    -0.03  -0.06   0.05
    18   1     0.03  -0.04   0.23    -0.03   0.04  -0.18    -0.08  -0.02   0.02
    19   1     0.03  -0.08   0.30    -0.02  -0.02   0.16    -0.07   0.06  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    237.2947               255.0164               326.7848
 Red. masses --      2.3018                 1.0887                 4.8379
 Frc consts  --      0.0764                 0.0417                 0.3044
 IR Inten    --     19.1597                 3.0426                10.0136
 RamAct Fr= 1--      0.5867                 0.0770                 2.7523
  Dep-P Fr= 1--      0.4180                 0.7464                 0.2259
  Dep-U Fr= 1--      0.5896                 0.8548                 0.3685
 Alpha2 Fr= 1--      0.0041                 0.0000                 0.0349
 Beta2  Fr= 1--      0.0577                 0.0110                 0.1690
 AlphaG Fr= 1--     -0.0072                 0.0001                -0.0149
 Gamma2 Fr= 1--      0.5137                 0.0445                 0.2439
 Delta2 Fr= 1--      0.3317                -0.0066                 0.1247
 Raman1 Fr= 1--       2.347                  0.308                 11.009
 ROA1   Fr= 1--      59.928                  4.059                 27.404
 CID1   Fr= 1--      25.536                 13.177                  2.489
 Raman2 Fr= 1--       0.692                  0.132                  2.029
 ROA2   Fr= 1--       9.674                  1.120                  4.855
 CID2   Fr= 1--      13.983                  8.507                  2.393
 Raman3 Fr= 1--       1.384                  0.263                  4.057
 ROA3   Fr= 1--      59.928                  4.059                 27.404
 CID3   Fr= 1--      43.309                 15.415                  6.755
 RC180  Fr= 1--       0.179                  0.710                 -0.263
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.05  -0.06  -0.04    -0.01   0.03   0.01     0.32   0.12  -0.05
     2   6    -0.01   0.03  -0.01    -0.01   0.00   0.01     0.05  -0.02   0.01
     3   1    -0.38  -0.41   0.18    -0.15  -0.06   0.04    -0.01  -0.11   0.07
     4   1    -0.16   0.02  -0.04    -0.04  -0.02   0.03     0.06  -0.02   0.03
     5   6     0.11  -0.11  -0.07     0.03  -0.04  -0.01     0.19  -0.01   0.14
     6   6    -0.00   0.13   0.06    -0.00   0.02   0.00    -0.04  -0.08  -0.01
     7   1     0.06  -0.02  -0.28     0.49  -0.14   0.31     0.21  -0.06   0.25
     8   1     0.29  -0.32  -0.14    -0.33   0.34   0.13     0.40   0.14   0.08
     9   1     0.10  -0.15   0.16    -0.05  -0.35  -0.47     0.16  -0.12   0.34
    10   6     0.06   0.08   0.05     0.01   0.02  -0.01    -0.16  -0.01  -0.08
    11   6     0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.17   0.04  -0.02
    12   6    -0.04  -0.05  -0.04    -0.00  -0.02   0.01    -0.15   0.03   0.08
    13   6    -0.11  -0.00   0.01    -0.02  -0.01   0.00    -0.08  -0.02  -0.03
    14   6    -0.09   0.10   0.07    -0.01   0.02  -0.01    -0.08  -0.07  -0.09
    15   1     0.13   0.11   0.07     0.03   0.02  -0.02    -0.25  -0.04  -0.14
    16   1     0.11  -0.07  -0.04     0.03  -0.02  -0.02    -0.18   0.05  -0.03
    17   1    -0.06  -0.11  -0.11    -0.00  -0.04   0.03    -0.14   0.05   0.19
    18   1    -0.19  -0.03   0.00    -0.04  -0.01   0.01    -0.01   0.02  -0.04
    19   1    -0.14   0.14   0.09    -0.02   0.03  -0.02    -0.08  -0.07  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    336.4176               413.5041               492.6240
 Red. masses --      3.2429                 2.9314                 3.3121
 Frc consts  --      0.2162                 0.2953                 0.4736
 IR Inten    --      4.0323                 0.0255                 6.6527
 RamAct Fr= 1--      0.2826                 0.0196                 4.9794
  Dep-P Fr= 1--      0.7141                 0.5898                 0.0788
  Dep-U Fr= 1--      0.8332                 0.7420                 0.1460
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0918
 Beta2  Fr= 1--      0.0392                 0.0024                 0.1212
 AlphaG Fr= 1--     -0.0012                 0.0015                 0.0653
 Gamma2 Fr= 1--     -0.8588                 0.0999                -0.1616
 Delta2 Fr= 1--     -0.2730                 0.0057                 0.0511
 Raman1 Fr= 1--       1.131                  0.078                 19.917
 ROA1   Fr= 1--     -91.185                  9.775                -13.880
 CID1   Fr= 1--     -80.656                124.708                 -0.697
 Raman2 Fr= 1--       0.471                  0.029                  1.454
 ROA2   Fr= 1--     -18.428                  2.353                 -4.288
 CID2   Fr= 1--     -39.126                 80.915                 -2.949
 Raman3 Fr= 1--       0.942                  0.058                  2.909
 ROA3   Fr= 1--     -91.185                  9.775                -13.880
 CID3   Fr= 1--     -96.802                168.070                 -4.772
 RC180  Fr= 1--       0.666                  0.484                 -0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.12   0.09  -0.10    -0.00   0.01  -0.00     0.03   0.12  -0.15
     2   6    -0.01   0.03  -0.14    -0.00  -0.00  -0.00    -0.17  -0.12  -0.06
     3   1    -0.01   0.24  -0.23    -0.01  -0.00   0.00    -0.07   0.11  -0.20
     4   1     0.03   0.04  -0.13    -0.01  -0.00  -0.00    -0.28  -0.16  -0.02
     5   6     0.18   0.03   0.01     0.01  -0.00   0.00    -0.12  -0.12   0.18
     6   6    -0.02  -0.05  -0.03    -0.00   0.00  -0.00    -0.06   0.05   0.04
     7   1     0.30  -0.02   0.14     0.01  -0.01   0.01    -0.23  -0.24   0.42
     8   1     0.33   0.23  -0.03    -0.00   0.01   0.00     0.16   0.14   0.10
     9   1     0.14  -0.15   0.12     0.00  -0.01  -0.01    -0.12  -0.11   0.45
    10   6    -0.04  -0.07   0.15    -0.00   0.04  -0.21     0.05   0.01  -0.00
    11   6    -0.04  -0.01   0.06     0.01  -0.04   0.21     0.07  -0.05  -0.03
    12   6    -0.02   0.04  -0.16    -0.00  -0.00  -0.00     0.12  -0.04   0.01
    13   6     0.02  -0.03   0.07    -0.01   0.04  -0.20     0.04   0.03  -0.01
    14   6     0.01  -0.08   0.15     0.01  -0.04   0.21     0.04   0.10   0.01
    15   1    -0.06  -0.11   0.26    -0.01   0.09  -0.44     0.16   0.06  -0.02
    16   1    -0.06  -0.00   0.09     0.01  -0.09   0.45     0.06  -0.03  -0.05
    17   1    -0.02   0.11  -0.38    -0.00  -0.00   0.00     0.12  -0.06   0.02
    18   1     0.05  -0.02   0.11    -0.01   0.08  -0.43    -0.05   0.00  -0.04
    19   1     0.05  -0.12   0.25     0.02  -0.08   0.46     0.05   0.09  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    543.1271               607.1570               638.6029
 Red. masses --      3.0795                 3.2153                 6.3389
 Frc consts  --      0.5352                 0.6983                 1.5231
 IR Inten    --      9.3841                15.1904                 0.0910
 RamAct Fr= 1--      0.5979                 1.2084                 4.5728
  Dep-P Fr= 1--      0.6648                 0.7232                 0.7331
  Dep-U Fr= 1--      0.7986                 0.8394                 0.8460
 Alpha2 Fr= 1--      0.0009                 0.0006                 0.0013
 Beta2  Fr= 1--      0.0796                 0.1691                 0.6448
 AlphaG Fr= 1--     -0.0009                 0.0023                 0.0035
 Gamma2 Fr= 1--     -0.1964                 0.0551                 0.0740
 Delta2 Fr= 1--     -0.0603                 0.0496                -0.0142
 Raman1 Fr= 1--       2.392                  4.834                 18.291
 ROA1   Fr= 1--     -20.779                  6.880                  6.648
 CID1   Fr= 1--      -8.688                  1.423                  0.363
 Raman2 Fr= 1--       0.955                  2.029                  7.737
 ROA2   Fr= 1--      -4.231                  0.926                  1.890
 CID2   Fr= 1--      -4.430                  0.457                  0.244
 Raman3 Fr= 1--       1.910                  4.057                 15.475
 ROA3   Fr= 1--     -20.779                  6.880                  6.648
 CID3   Fr= 1--     -10.878                  1.696                  0.430
 RC180  Fr= 1--       0.597                  0.679                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08  -0.01  -0.05     0.08  -0.03   0.02    -0.01   0.00  -0.02
     2   6    -0.07   0.12  -0.01    -0.15   0.19   0.10     0.02  -0.03  -0.02
     3   1     0.03   0.01   0.00     0.20  -0.17   0.29    -0.04   0.02  -0.06
     4   1    -0.07   0.16  -0.10    -0.14   0.22   0.03     0.04  -0.04  -0.00
     5   6     0.07   0.05  -0.05    -0.00   0.01   0.00    -0.01  -0.04   0.02
     6   6    -0.05  -0.07   0.25    -0.15  -0.00  -0.09    -0.00  -0.13  -0.02
     7   1     0.26   0.13  -0.18     0.29   0.15  -0.24    -0.05  -0.06   0.07
     8   1     0.19  -0.02  -0.10     0.05  -0.17  -0.03    -0.01   0.01   0.02
     9   1     0.02  -0.19   0.06    -0.08  -0.32   0.07    -0.01  -0.01   0.02
    10   6    -0.01  -0.08   0.03    -0.03  -0.14  -0.09     0.21  -0.21  -0.04
    11   6    -0.01  -0.01  -0.12    -0.00  -0.10   0.05     0.29   0.21   0.03
    12   6     0.07  -0.03   0.17     0.15   0.02  -0.10     0.00   0.14   0.03
    13   6     0.04   0.04  -0.12     0.05   0.07   0.08    -0.22   0.26   0.05
    14   6     0.02  -0.03   0.04    -0.00   0.03  -0.05    -0.26  -0.17  -0.02
    15   1    -0.00  -0.02  -0.24     0.06  -0.13   0.06     0.05  -0.27  -0.07
    16   1    -0.08   0.10  -0.43    -0.14  -0.03   0.28     0.18   0.30   0.03
    17   1     0.07  -0.01   0.20     0.15   0.02  -0.06    -0.06  -0.28  -0.06
    18   1     0.02   0.10  -0.44    -0.02   0.01   0.28    -0.06   0.33   0.04
    19   1     0.09  -0.03  -0.24     0.16  -0.11   0.07    -0.15  -0.25  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    711.6872               767.4278               789.4734
 Red. masses --      1.6933                 3.0851                 2.2557
 Frc consts  --      0.5053                 1.0705                 0.8284
 IR Inten    --     47.7269                23.3696                10.1280
 RamAct Fr= 1--      0.0502                12.8912                 3.3656
  Dep-P Fr= 1--      0.7401                 0.0361                 0.0837
  Dep-U Fr= 1--      0.8506                 0.0697                 0.1545
 Alpha2 Fr= 1--      0.0000                 0.2632                 0.0613
 Beta2  Fr= 1--      0.0071                 0.1498                 0.0867
 AlphaG Fr= 1--     -0.0001                 0.0209                -0.0156
 Gamma2 Fr= 1--     -0.0365                -0.7963                -0.7095
 Delta2 Fr= 1--      0.0019                -0.4022                -0.1582
 Raman1 Fr= 1--       0.201                 51.565                 13.462
 ROA1   Fr= 1--      -3.448                -89.316                -73.168
 CID1   Fr= 1--     -17.154                 -1.732                 -5.435
 Raman2 Fr= 1--       0.085                  1.798                  1.040
 ROA2   Fr= 1--      -0.892                -15.893                -15.762
 CID2   Fr= 1--     -10.435                 -8.839                -15.158
 Raman3 Fr= 1--       0.171                  3.596                  2.080
 ROA3   Fr= 1--      -3.448                -89.316                -73.168
 CID3   Fr= 1--     -20.167                -24.837                -35.183
 RC180  Fr= 1--       0.701                 -0.861                 -0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00     0.03  -0.01   0.09    -0.03  -0.00   0.01
     2   6    -0.00   0.00   0.00     0.10  -0.12  -0.05     0.05  -0.08  -0.03
     3   1     0.01  -0.02   0.02    -0.06   0.06  -0.07    -0.10   0.07  -0.13
     4   1     0.01   0.00   0.01     0.11  -0.16   0.06     0.02  -0.10  -0.01
     5   6     0.00  -0.00   0.00     0.07   0.03  -0.06     0.06   0.04  -0.06
     6   6    -0.01   0.02  -0.10    -0.09   0.03  -0.11    -0.02  -0.04   0.22
     7   1    -0.01  -0.00   0.00    -0.19  -0.07   0.11    -0.07  -0.03   0.07
     8   1    -0.01   0.00   0.01    -0.03   0.15  -0.01     0.08   0.16  -0.06
     9   1     0.00   0.00  -0.01     0.15   0.35  -0.17     0.09   0.19  -0.05
    10   6    -0.00  -0.02   0.06    -0.06  -0.11   0.04    -0.02  -0.02  -0.08
    11   6    -0.01   0.02  -0.14    -0.07  -0.13  -0.03    -0.02  -0.05  -0.00
    12   6     0.01  -0.01   0.07     0.14  -0.04   0.07     0.04   0.02  -0.13
    13   6    -0.01   0.04  -0.14    -0.06   0.16   0.03    -0.03   0.06   0.02
    14   6    -0.00  -0.01   0.07    -0.04   0.14   0.09    -0.02   0.07  -0.07
    15   1     0.02  -0.10   0.50     0.03  -0.06  -0.07     0.01  -0.02  -0.02
    16   1    -0.01  -0.04   0.22    -0.24   0.05  -0.32    -0.06  -0.10   0.47
    17   1     0.02  -0.11   0.55     0.12   0.02  -0.34     0.06  -0.13   0.52
    18   1    -0.00  -0.04   0.23    -0.28   0.14  -0.31    -0.09  -0.06   0.47
    19   1     0.02  -0.09   0.50     0.02   0.12  -0.04     0.00   0.05  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    855.8034               904.5879               929.3942
 Red. masses --      1.2486                 2.3693                 1.4970
 Frc consts  --      0.5388                 1.1423                 0.7619
 IR Inten    --      0.0318                19.4717                 7.1707
 RamAct Fr= 1--      1.2378                 4.3599                 1.7343
  Dep-P Fr= 1--      0.7500                 0.6543                 0.7378
  Dep-U Fr= 1--      0.8571                 0.7910                 0.8491
 Alpha2 Fr= 1--      0.0000                 0.0075                 0.0004
 Beta2  Fr= 1--      0.1768                 0.5748                 0.2454
 AlphaG Fr= 1--     -0.0001                -0.0014                -0.0032
 Gamma2 Fr= 1--      0.1154                 1.3848                 0.2370
 Delta2 Fr= 1--      0.1040                 1.7387                -0.0218
 Raman1 Fr= 1--       4.951                 17.440                  6.937
 ROA1   Fr= 1--      14.406                188.576                 22.057
 CID1   Fr= 1--       2.910                 10.813                  3.179
 Raman2 Fr= 1--       2.122                  6.898                  2.945
 ROA2   Fr= 1--       1.937                 19.325                  5.864
 CID2   Fr= 1--       0.913                  2.802                  1.991
 Raman3 Fr= 1--       4.244                 13.796                  5.891
 ROA3   Fr= 1--      14.406                188.576                 22.057
 CID3   Fr= 1--       3.395                 13.669                  3.744
 RC180  Fr= 1--       0.714                  0.582                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00  -0.00     0.06  -0.03   0.17     0.02  -0.01   0.04
     2   6     0.00  -0.00   0.00    -0.16  -0.05  -0.09    -0.02   0.01  -0.03
     3   1    -0.00   0.00  -0.01     0.05   0.01   0.12     0.02  -0.00   0.04
     4   1     0.00   0.01  -0.01    -0.24  -0.14   0.11     0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.07  -0.16    -0.02  -0.01   0.00
     6   6    -0.00  -0.00  -0.00    -0.03   0.00  -0.00    -0.00   0.02  -0.09
     7   1     0.01   0.01  -0.01    -0.00  -0.11   0.23     0.00  -0.01   0.01
     8   1     0.00  -0.01  -0.00     0.45   0.56  -0.28     0.02   0.01  -0.01
     9   1    -0.00  -0.00   0.00    -0.02  -0.01   0.24    -0.02  -0.03   0.03
    10   6    -0.00   0.01  -0.08     0.02   0.03  -0.01     0.00  -0.02   0.10
    11   6    -0.00   0.01  -0.07     0.05   0.05   0.01     0.00   0.01  -0.01
    12   6    -0.00   0.00  -0.00    -0.02  -0.00   0.02    -0.00   0.02  -0.10
    13   6     0.00  -0.01   0.07     0.03  -0.05  -0.01     0.00  -0.00  -0.01
    14   6     0.00  -0.01   0.08     0.00  -0.03  -0.02     0.00  -0.02   0.11
    15   1     0.02  -0.09   0.51     0.02   0.02   0.10    -0.02   0.10  -0.54
    16   1     0.01  -0.09   0.46     0.11   0.01  -0.01     0.01  -0.00   0.01
    17   1    -0.00  -0.00   0.01    -0.02   0.01  -0.12     0.01  -0.11   0.58
    18   1    -0.01   0.09  -0.47     0.09  -0.02  -0.04     0.01  -0.01   0.01
    19   1    -0.02   0.09  -0.50     0.01  -0.06   0.08    -0.02   0.10  -0.54
                     19                     20                     21
                      A                      A                      A
 Frequencies --    961.2954               977.1083              1015.6811
 Red. masses --      1.3609                 1.2368                 1.9464
 Frc consts  --      0.7410                 0.6957                 1.1831
 IR Inten    --      0.0291                 0.5451                33.5969
 RamAct Fr= 1--      0.1126                 0.0526                27.0074
  Dep-P Fr= 1--      0.1739                 0.4672                 0.0713
  Dep-U Fr= 1--      0.2962                 0.6368                 0.1330
 Alpha2 Fr= 1--      0.0016                 0.0003                 0.5070
 Beta2  Fr= 1--      0.0056                 0.0056                 0.5988
 AlphaG Fr= 1--     -0.0133                 0.0031                -0.1143
 Gamma2 Fr= 1--     -0.2430                -0.1103                 0.2737
 Delta2 Fr= 1--      0.0690                 0.0894                 0.7157
 Raman1 Fr= 1--       0.450                  0.210                108.030
 ROA1   Fr= 1--     -21.118                 -7.732                 49.178
 CID1   Fr= 1--     -46.891                -36.776                  0.455
 Raman2 Fr= 1--       0.067                  0.067                  7.185
 ROA2   Fr= 1--      -6.383                 -3.363                  0.843
 CID2   Fr= 1--     -95.695                -50.233                  0.117
 Raman3 Fr= 1--       0.133                  0.134                 14.370
 ROA3   Fr= 1--     -21.118                 -7.732                 49.178
 CID3   Fr= 1--    -158.305                -57.748                  3.422
 RC180  Fr= 1--      -0.408                  0.274                 -0.734
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.03   0.01  -0.09
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.04   0.01   0.14
     3   1    -0.01   0.01  -0.01     0.00  -0.01   0.01     0.12  -0.14   0.21
     4   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.34  -0.13   0.31
     5   6    -0.00   0.00   0.00     0.01   0.00  -0.00     0.12  -0.02  -0.05
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.05   0.03  -0.01
     7   1     0.01   0.01  -0.00    -0.01  -0.00   0.01    -0.32  -0.14   0.15
     8   1     0.01  -0.01  -0.00    -0.00   0.01  -0.00    -0.13   0.16   0.05
     9   1    -0.01  -0.01   0.01     0.01   0.02  -0.01     0.24   0.51  -0.21
    10   6    -0.00   0.01  -0.08     0.00   0.01  -0.04    -0.03   0.06   0.02
    11   6     0.00  -0.02   0.09     0.00  -0.01   0.08     0.02   0.02   0.00
    12   6    -0.00  -0.00   0.01    -0.00   0.02  -0.08     0.09   0.00  -0.00
    13   6    -0.00   0.02  -0.09     0.00  -0.01   0.07     0.03  -0.05  -0.01
    14   6     0.00  -0.01   0.09    -0.00   0.00  -0.03    -0.07  -0.11  -0.00
    15   1     0.02  -0.08   0.44     0.01  -0.05   0.29    -0.00   0.08  -0.03
    16   1    -0.02   0.09  -0.47    -0.02   0.11  -0.53    -0.01   0.04   0.02
    17   1    -0.01   0.01  -0.04     0.02  -0.10   0.54     0.10   0.05   0.00
    18   1     0.02  -0.10   0.54    -0.01   0.09  -0.46     0.09  -0.04   0.03
    19   1    -0.01   0.09  -0.48     0.01  -0.05   0.25    -0.07  -0.09  -0.12
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1027.9852              1054.3369              1077.6338
 Red. masses --      4.3642                 2.2617                 2.6523
 Frc consts  --      2.7173                 1.4813                 1.8147
 IR Inten    --      7.4611                10.7694                26.4820
 RamAct Fr= 1--     27.2287                22.1037                 4.7563
  Dep-P Fr= 1--      0.0495                 0.0365                 0.6638
  Dep-U Fr= 1--      0.0944                 0.0705                 0.7979
 Alpha2 Fr= 1--      0.5385                 0.4508                 0.0073
 Beta2  Fr= 1--      0.4283                 0.2597                 0.6325
 AlphaG Fr= 1--      0.0348                 0.0224                 0.0248
 Gamma2 Fr= 1--     -0.0372                 0.2453                -0.4821
 Delta2 Fr= 1--      0.2538                -0.0231                -1.4454
 Raman1 Fr= 1--     108.915                 88.415                 19.025
 ROA1   Fr= 1--       4.553                 22.813                -92.533
 CID1   Fr= 1--       0.042                  0.258                 -4.864
 Raman2 Fr= 1--       5.140                  3.117                  7.590
 ROA2   Fr= 1--      -2.923                  6.073                 -0.007
 CID2   Fr= 1--      -0.569                  1.949                 -0.001
 Raman3 Fr= 1--      10.280                  6.233                 15.181
 ROA3   Fr= 1--       4.553                 22.813                -92.533
 CID3   Fr= 1--       0.443                  3.660                 -6.095
 RC180  Fr= 1--      -0.811                 -0.859                  0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02  -0.01   0.06     0.02  -0.00   0.02    -0.02   0.01  -0.09
     2   6     0.04  -0.02  -0.09    -0.00  -0.02  -0.03    -0.04  -0.19   0.19
     3   1    -0.11   0.11  -0.18    -0.07   0.06  -0.12    -0.02  -0.01  -0.07
     4   1     0.18   0.08  -0.23     0.04   0.02  -0.11     0.13  -0.15   0.17
     5   6    -0.06   0.02   0.04     0.01   0.02   0.03     0.01   0.15  -0.03
     6   6     0.04  -0.02   0.01    -0.04  -0.00   0.00    -0.04  -0.05  -0.06
     7   1     0.21   0.12  -0.13     0.05   0.08  -0.11     0.37   0.29  -0.26
     8   1     0.05  -0.15  -0.01    -0.07  -0.13   0.05     0.19   0.00  -0.11
     9   1    -0.15  -0.32   0.10     0.00  -0.03  -0.08    -0.06  -0.15   0.03
    10   6    -0.11   0.30   0.05    -0.06  -0.05  -0.01    -0.05   0.06   0.03
    11   6    -0.03  -0.05  -0.01     0.07   0.19   0.04     0.07   0.04   0.01
    12   6     0.28  -0.05  -0.02     0.13  -0.02  -0.01    -0.03  -0.06  -0.01
    13   6    -0.03   0.08   0.02     0.00  -0.19  -0.04    -0.03   0.05   0.01
    14   6    -0.17  -0.22  -0.04    -0.03   0.08   0.01     0.08   0.04   0.02
    15   1    -0.09   0.31   0.10    -0.38  -0.17  -0.01    -0.22   0.02  -0.06
    16   1     0.03  -0.08  -0.03    -0.20   0.40   0.08     0.25  -0.09  -0.03
    17   1     0.29  -0.10  -0.02     0.14  -0.06  -0.02    -0.07  -0.39  -0.06
    18   1    -0.05   0.06   0.01    -0.36  -0.34  -0.06    -0.17   0.00   0.00
    19   1    -0.10  -0.29  -0.02    -0.27   0.25   0.07     0.29  -0.11  -0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1090.3171              1121.3604              1185.8674
 Red. masses --      1.7098                 1.6908                 1.1182
 Frc consts  --      1.1976                 1.2527                 0.9265
 IR Inten    --     54.8284                 2.7275                 0.0557
 RamAct Fr= 1--      1.2666                 1.3089                 3.5748
  Dep-P Fr= 1--      0.6561                 0.5845                 0.7358
  Dep-U Fr= 1--      0.7923                 0.7378                 0.8478
 Alpha2 Fr= 1--      0.0021                 0.0040                 0.0009
 Beta2  Fr= 1--      0.1673                 0.1610                 0.5051
 AlphaG Fr= 1--      0.0071                 0.0128                 0.0018
 Gamma2 Fr= 1--     -0.4774                 1.5502                 0.0557
 Delta2 Fr= 1--     -0.4794                 0.4865                -0.0554
 Raman1 Fr= 1--       5.066                  5.236                 14.299
 ROA1   Fr= 1--     -61.174                164.384                  3.570
 CID1   Fr= 1--     -12.075                 31.397                  0.250
 Raman2 Fr= 1--       2.007                  1.931                  6.061
 ROA2   Fr= 1--      -7.624                 33.312                  1.779
 CID2   Fr= 1--      -3.799                 17.247                  0.294
 Raman3 Fr= 1--       4.014                  3.863                 12.122
 ROA3   Fr= 1--     -61.174                164.384                  3.570
 CID3   Fr= 1--     -15.240                 42.554                  0.295
 RC180  Fr= 1--       0.585                  0.476                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.05  -0.00  -0.06     0.01  -0.00  -0.02     0.00  -0.00  -0.00
     2   6     0.10   0.05   0.09    -0.02  -0.12   0.08     0.01   0.00   0.00
     3   1     0.16  -0.15   0.27    -0.11   0.07  -0.20    -0.01   0.01  -0.02
     4   1     0.26   0.00   0.25    -0.01  -0.08  -0.01    -0.01   0.00  -0.00
     5   6    -0.10  -0.04  -0.08    -0.01   0.08  -0.01    -0.00  -0.00  -0.00
     6   6     0.10  -0.02  -0.01     0.00   0.04  -0.02    -0.00   0.00  -0.00
     7   1     0.04  -0.18   0.28     0.22   0.18  -0.16     0.01  -0.00   0.00
     8   1     0.31   0.31  -0.19     0.10  -0.04  -0.05     0.01   0.01  -0.00
     9   1    -0.14  -0.22   0.36    -0.06  -0.15   0.01    -0.00   0.00   0.01
    10   6    -0.00  -0.01  -0.00     0.09  -0.04  -0.00    -0.01  -0.01  -0.00
    11   6    -0.04   0.00   0.00    -0.05  -0.04  -0.01     0.04  -0.03  -0.01
    12   6     0.05  -0.00  -0.00     0.01   0.07   0.01     0.01   0.07   0.01
    13   6    -0.03   0.00   0.00     0.04  -0.05  -0.01    -0.04  -0.02  -0.00
    14   6    -0.02   0.02   0.01    -0.10  -0.01   0.00     0.01  -0.01  -0.00
    15   1    -0.11  -0.06  -0.02     0.45   0.11  -0.03    -0.18  -0.08  -0.01
    16   1    -0.19   0.11   0.03    -0.21   0.08   0.02     0.40  -0.30  -0.07
    17   1     0.06   0.03   0.00     0.07   0.48   0.10     0.09   0.65   0.13
    18   1    -0.17  -0.06  -0.00     0.22   0.01  -0.01    -0.44  -0.17  -0.02
    19   1    -0.17   0.15   0.01    -0.37   0.19   0.04     0.13  -0.10  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1208.6295              1229.9690              1254.8482
 Red. masses --      1.1338                 1.9998                 1.6801
 Frc consts  --      0.9759                 1.7824                 1.5587
 IR Inten    --      0.1525                19.0416                 9.7728
 RamAct Fr= 1--      5.3588                18.5325                10.4684
  Dep-P Fr= 1--      0.6509                 0.0949                 0.0403
  Dep-U Fr= 1--      0.7885                 0.1733                 0.0774
 Alpha2 Fr= 1--      0.0095                 0.3285                 0.2116
 Beta2  Fr= 1--      0.7043                 0.5354                 0.1350
 AlphaG Fr= 1--      0.0051                -0.0462                 0.0503
 Gamma2 Fr= 1--     -0.0043                -0.8756                -1.5975
 Delta2 Fr= 1--     -0.0013                -0.3401                 0.2369
 Raman1 Fr= 1--      21.435                 74.130                 41.873
 ROA1   Fr= 1--      -0.454                -94.942               -145.780
 CID1   Fr= 1--      -0.021                 -1.281                 -3.481
 Raman2 Fr= 1--       8.451                  6.425                  1.620
 ROA2   Fr= 1--      -0.092                -18.294                -40.236
 CID2   Fr= 1--      -0.011                 -2.847                -24.831
 Raman3 Fr= 1--      16.902                 12.850                  3.241
 ROA3   Fr= 1--      -0.454                -94.942               -145.780
 CID3   Fr= 1--      -0.027                 -7.388                -44.983
 RC180  Fr= 1--       0.577                 -0.653                 -0.845
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.01  -0.01   0.01    -0.02   0.04  -0.00
     2   6     0.00  -0.00  -0.00    -0.09   0.01   0.04    -0.12  -0.06  -0.12
     3   1     0.00   0.00   0.00    -0.12   0.10  -0.22     0.36  -0.24   0.61
     4   1     0.01   0.00  -0.01    -0.71  -0.05  -0.08     0.25  -0.17   0.27
     5   6    -0.00  -0.00   0.00     0.02   0.03   0.01     0.05   0.04   0.05
     6   6    -0.01   0.00   0.00     0.24   0.03  -0.02     0.08  -0.09   0.01
     7   1     0.00  -0.00   0.00     0.00   0.07  -0.08    -0.04   0.11  -0.15
     8   1    -0.00   0.01   0.00    -0.03  -0.01   0.02    -0.12  -0.15   0.08
     9   1     0.01   0.03   0.01     0.01   0.02  -0.04     0.03  -0.02  -0.19
    10   6     0.05   0.02   0.00     0.01  -0.03  -0.00     0.04   0.03   0.00
    11   6    -0.03   0.03   0.01    -0.05  -0.05  -0.01    -0.04  -0.00   0.00
    12   6    -0.01   0.00   0.00     0.02   0.01   0.00     0.01  -0.01  -0.00
    13   6    -0.05  -0.02  -0.00    -0.07   0.05   0.01    -0.00   0.04   0.01
    14   6     0.05  -0.03  -0.01     0.06  -0.04  -0.01    -0.01   0.02   0.00
    15   1     0.47   0.19   0.02    -0.36  -0.19  -0.03     0.04   0.02   0.02
    16   1    -0.36   0.28   0.07    -0.28   0.11   0.03    -0.02  -0.02   0.00
    17   1    -0.01   0.01   0.00    -0.00  -0.08  -0.01     0.02   0.10   0.02
    18   1    -0.46  -0.19  -0.02    -0.20   0.00   0.01    -0.17  -0.03   0.01
    19   1     0.42  -0.31  -0.07    -0.06   0.06   0.00    -0.17   0.15   0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1331.4029              1356.6980              1388.0265
 Red. masses --      2.6409                 1.8457                 1.3115
 Frc consts  --      2.7582                 2.0016                 1.4887
 IR Inten    --     15.4832                 4.6040                 4.1973
 RamAct Fr= 1--      0.7289                 0.8350                 2.8339
  Dep-P Fr= 1--      0.4051                 0.7043                 0.4484
  Dep-U Fr= 1--      0.5766                 0.8265                 0.6192
 Alpha2 Fr= 1--      0.0053                 0.0007                 0.0175
 Beta2  Fr= 1--      0.0701                 0.1150                 0.2925
 AlphaG Fr= 1--     -0.0179                 0.0002                -0.0019
 Gamma2 Fr= 1--      0.4526                 0.6274                -1.4761
 Delta2 Fr= 1--      0.2268                -0.2631                -0.5797
 Raman1 Fr= 1--       2.916                  3.340                 11.336
 ROA1   Fr= 1--      50.703                 51.815               -160.255
 CID1   Fr= 1--      17.390                 15.514                -14.137
 Raman2 Fr= 1--       0.841                  1.380                  3.509
 ROA2   Fr= 1--       9.048                 17.163                -30.789
 CID2   Fr= 1--      10.763                 12.435                 -8.773
 Raman3 Fr= 1--       1.681                  2.761                  7.019
 ROA3   Fr= 1--      50.703                 51.815               -160.255
 CID3   Fr= 1--      30.159                 18.770                -22.832
 RC180  Fr= 1--       0.153                  0.653                  0.238
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02  -0.01     0.01  -0.00   0.00     0.00  -0.02  -0.00
     2   6     0.09  -0.06  -0.10    -0.06   0.01   0.03     0.09   0.05  -0.05
     3   1     0.20  -0.14   0.34    -0.03   0.03  -0.06    -0.08   0.03  -0.12
     4   1    -0.11  -0.32   0.38     0.25   0.14  -0.14    -0.49  -0.31   0.51
     5   6    -0.04   0.06   0.04     0.03  -0.01  -0.02    -0.01   0.06   0.01
     6   6    -0.02   0.22   0.05     0.02  -0.01  -0.00    -0.03  -0.06  -0.01
     7   1     0.15   0.11  -0.05    -0.11  -0.05   0.03     0.01   0.01   0.09
     8   1     0.07  -0.19  -0.01    -0.06   0.05   0.01    -0.06  -0.21   0.02
     9   1    -0.10  -0.18  -0.03     0.03   0.00   0.01    -0.08  -0.21   0.08
    10   6    -0.10  -0.06  -0.01    -0.13  -0.03  -0.00    -0.01  -0.01  -0.00
    11   6     0.11  -0.08  -0.02     0.06  -0.04  -0.01    -0.03   0.04   0.01
    12   6     0.01   0.10   0.02     0.02   0.13   0.03    -0.00   0.01   0.00
    13   6    -0.11  -0.08  -0.01    -0.07  -0.01   0.00     0.06   0.02   0.00
    14   6     0.05  -0.07  -0.01     0.13  -0.07  -0.02    -0.00  -0.00  -0.00
    15   1    -0.13  -0.08   0.00     0.48   0.22   0.03     0.24   0.09   0.02
    16   1    -0.21   0.16   0.04     0.14  -0.10  -0.02     0.21  -0.15  -0.04
    17   1    -0.01  -0.06  -0.01    -0.05  -0.32  -0.06    -0.03  -0.17  -0.03
    18   1     0.35   0.10   0.01    -0.19  -0.05  -0.00    -0.21  -0.09  -0.01
    19   1     0.20  -0.18  -0.03    -0.44   0.36   0.08    -0.14   0.10   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1409.8979              1412.3693              1489.1476
 Red. masses --      1.2629                 1.2098                 1.1291
 Frc consts  --      1.4790                 1.4219                 1.4752
 IR Inten    --     14.4930                51.3750                 2.6136
 RamAct Fr= 1--      0.4313                 4.0627                 3.7871
  Dep-P Fr= 1--      0.7496                 0.7009                 0.6932
  Dep-U Fr= 1--      0.8569                 0.8242                 0.8188
 Alpha2 Fr= 1--      0.0000                 0.0035                 0.0038
 Beta2  Fr= 1--      0.0616                 0.5581                 0.5168
 AlphaG Fr= 1--     -0.0001                -0.0080                -0.0242
 Gamma2 Fr= 1--     -0.2139                 2.1630                 1.5740
 Delta2 Fr= 1--      0.0633                 0.3773                -0.4010
 Raman1 Fr= 1--       1.725                 16.251                 15.148
 ROA1   Fr= 1--     -18.509                219.718                138.267
 CID1   Fr= 1--     -10.728                 13.520                  9.127
 Raman2 Fr= 1--       0.739                  6.697                  6.202
 ROA2   Fr= 1--      -5.640                 48.893                 40.983
 CID2   Fr= 1--      -7.630                  7.301                  6.608
 Raman3 Fr= 1--       1.478                 13.393                 12.404
 ROA3   Fr= 1--     -18.509                219.718                138.267
 CID3   Fr= 1--     -12.520                 16.405                 11.147
 RC180  Fr= 1--       0.714                  0.648                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.01  -0.00     0.03  -0.05  -0.01    -0.01   0.01   0.00
     2   6     0.02   0.03  -0.02    -0.08   0.06  -0.01     0.03  -0.03  -0.01
     3   1    -0.04   0.01  -0.06    -0.25   0.13  -0.41     0.04  -0.03   0.09
     4   1    -0.03  -0.07   0.20     0.47  -0.12   0.62    -0.06  -0.03  -0.06
     5   6    -0.08  -0.09   0.08     0.03  -0.01  -0.00     0.03  -0.03  -0.01
     6   6     0.00  -0.01   0.00     0.02   0.01   0.01     0.01   0.04   0.01
     7   1     0.28   0.19  -0.41    -0.12   0.01  -0.07    -0.11   0.18  -0.47
     8   1     0.44   0.37  -0.08    -0.17   0.08   0.07    -0.40   0.52   0.17
     9   1     0.05   0.39  -0.37     0.01  -0.06   0.08    -0.01  -0.15   0.41
    10   6    -0.01  -0.00  -0.00     0.01   0.01   0.00     0.01  -0.02  -0.00
    11   6    -0.01   0.01   0.00     0.02  -0.02  -0.00    -0.04   0.01   0.00
    12   6     0.00   0.01   0.00    -0.00  -0.01  -0.00     0.01   0.03   0.01
    13   6     0.01   0.00  -0.00    -0.03  -0.00  -0.00     0.03  -0.01  -0.00
    14   6     0.00  -0.00  -0.00     0.01   0.00   0.00    -0.03  -0.00   0.00
    15   1     0.06   0.02   0.01    -0.11  -0.03   0.00     0.01  -0.03  -0.01
    16   1     0.05  -0.04  -0.01    -0.11   0.08   0.02     0.10  -0.09  -0.02
    17   1    -0.01  -0.06  -0.01     0.01   0.09   0.02    -0.02  -0.16  -0.03
    18   1    -0.05  -0.02  -0.00     0.09   0.04   0.00    -0.05  -0.05  -0.01
    19   1    -0.06   0.04   0.02     0.06  -0.04  -0.01     0.04  -0.06  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.2073              1497.1892              1535.4642
 Red. masses --      1.9079                 1.0551                 2.2007
 Frc consts  --      2.5064                 1.3935                 3.0570
 IR Inten    --     12.6097                 4.6448                 5.2699
 RamAct Fr= 1--      1.4523                 6.5852                 0.0476
  Dep-P Fr= 1--      0.5953                 0.6957                 0.2666
  Dep-U Fr= 1--      0.7463                 0.8206                 0.4210
 Alpha2 Fr= 1--      0.0042                 0.0062                 0.0005
 Beta2  Fr= 1--      0.1807                 0.9006                 0.0033
 AlphaG Fr= 1--      0.0070                -0.0333                 0.0008
 Gamma2 Fr= 1--     -3.8803                -1.1588                 0.2387
 Delta2 Fr= 1--      1.5332                -1.1352                -0.0681
 Raman1 Fr= 1--       5.809                 26.341                  0.191
 ROA1   Fr= 1--    -323.444               -147.575                 20.735
 CID1   Fr= 1--     -55.676                 -5.603                108.814
 Raman2 Fr= 1--       2.168                 10.807                  0.040
 ROA2   Fr= 1--    -105.392                -18.730                  6.273
 CID2   Fr= 1--     -48.617                 -1.733                156.395
 Raman3 Fr= 1--       4.336                 21.615                  0.080
 ROA3   Fr= 1--    -323.444               -147.575                 20.735
 CID3   Fr= 1--     -74.601                 -6.828                258.491
 RC180  Fr= 1--       0.493                  0.641                 -0.158
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.05   0.02  -0.01    -0.02  -0.00  -0.02    -0.04   0.01   0.01
     3   1     0.03  -0.02   0.05     0.01  -0.00   0.01    -0.01   0.01  -0.03
     4   1    -0.34  -0.05  -0.02     0.03  -0.03   0.05    -0.01   0.01   0.01
     5   6     0.00  -0.02   0.00    -0.03  -0.02  -0.04     0.00   0.01   0.00
     6   6    -0.02  -0.14  -0.03     0.01   0.00   0.00     0.14  -0.02  -0.01
     7   1     0.04   0.09  -0.21     0.62  -0.01   0.13    -0.05  -0.02   0.05
     8   1    -0.18   0.21   0.08    -0.28  -0.20   0.06     0.05  -0.05  -0.02
     9   1     0.00   0.00   0.21     0.12   0.52   0.42    -0.00  -0.01  -0.08
    10   6    -0.08   0.05   0.01     0.00  -0.00  -0.00    -0.08  -0.09  -0.01
    11   6     0.12  -0.00  -0.00    -0.01   0.00   0.00    -0.10   0.12   0.03
    12   6    -0.01  -0.11  -0.02     0.01   0.01   0.00     0.10  -0.02  -0.01
    13   6    -0.11   0.02   0.01    -0.00  -0.01  -0.00    -0.13  -0.09  -0.01
    14   6     0.08   0.04   0.00    -0.01   0.00  -0.00    -0.05   0.10   0.02
    15   1     0.17   0.16   0.03     0.01  -0.00   0.00     0.42   0.10   0.01
    16   1    -0.19   0.25   0.05     0.02  -0.03  -0.01     0.40  -0.25  -0.06
    17   1     0.08   0.52   0.10    -0.00  -0.04  -0.01     0.13  -0.01  -0.01
    18   1     0.29   0.20   0.03     0.00  -0.01  -0.00     0.46   0.14   0.01
    19   1    -0.08   0.18   0.03    -0.01   0.01   0.01     0.40  -0.22  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1630.0229              1649.5970              3036.3904
 Red. masses --      5.3991                 5.5652                 1.0354
 Frc consts  --      8.4520                 8.9226                 5.6246
 IR Inten    --      0.7558                 0.8799                12.8307
 RamAct Fr= 1--      8.4837                31.6977               187.1598
  Dep-P Fr= 1--      0.7494                 0.6519                 0.0094
  Dep-U Fr= 1--      0.8567                 0.7893                 0.0186
 Alpha2 Fr= 1--      0.0001                 0.0558                 4.0690
 Beta2  Fr= 1--      1.2114                 4.1698                 0.5795
 AlphaG Fr= 1--      0.0031                 0.0247                -0.4011
 Gamma2 Fr= 1--      0.2391                 0.5886                -1.0863
 Delta2 Fr= 1--      0.0029                 0.1951                -2.2458
 Raman1 Fr= 1--      33.935                126.791                748.639
 ROA1   Fr= 1--      23.044                 62.746               -176.152
 CID1   Fr= 1--       0.679                  0.495                 -0.235
 Raman2 Fr= 1--      14.537                 50.038                  6.954
 ROA2   Fr= 1--       5.715                 12.565                 -8.105
 CID2   Fr= 1--       0.393                  0.251                 -1.165
 Raman3 Fr= 1--      29.074                100.076                 13.908
 ROA3   Fr= 1--      23.044                 62.746               -176.152
 CID3   Fr= 1--       0.793                  0.627                -12.666
 RC180  Fr= 1--       0.713                  0.579                 -0.963
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.02   0.04   0.01     0.03  -0.00  -0.01     0.00  -0.01  -0.00
     3   1    -0.00   0.01  -0.01     0.00  -0.01   0.01     0.00  -0.00  -0.00
     4   1    -0.23  -0.01  -0.00    -0.00  -0.01   0.00    -0.01   0.06   0.03
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.02   0.04  -0.03
     6   6    -0.03  -0.29  -0.06    -0.22   0.02   0.01    -0.00   0.00  -0.00
     7   1    -0.04  -0.01   0.02    -0.00   0.00  -0.01     0.07  -0.57  -0.27
     8   1     0.02  -0.01  -0.00    -0.01   0.01   0.00     0.20  -0.02   0.57
     9   1     0.00  -0.01  -0.03    -0.00  -0.02   0.02    -0.46   0.13  -0.00
    10   6     0.11   0.17   0.03     0.31   0.05   0.00     0.00  -0.00   0.00
    11   6     0.05  -0.21  -0.04    -0.26   0.10   0.03     0.00   0.00   0.00
    12   6     0.05   0.35   0.07     0.14  -0.01  -0.01    -0.00   0.00  -0.00
    13   6    -0.09  -0.19  -0.03    -0.28  -0.04   0.00     0.00   0.00  -0.00
    14   6    -0.08   0.20   0.04     0.28  -0.12  -0.03    -0.00  -0.00  -0.00
    15   1    -0.28   0.01   0.01    -0.35  -0.21  -0.03    -0.00  -0.00  -0.00
    16   1    -0.25  -0.01   0.01     0.20  -0.26  -0.06    -0.00  -0.00  -0.00
    17   1    -0.07  -0.47  -0.09     0.15  -0.03  -0.01     0.00  -0.00  -0.00
    18   1     0.23  -0.08  -0.02     0.28   0.19   0.03     0.00  -0.00  -0.00
    19   1     0.32  -0.09  -0.02    -0.27   0.30   0.07     0.01   0.02   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3055.5256              3099.9073              3112.5349
 Red. masses --      1.0858                 1.1008                 1.1020
 Frc consts  --      5.9725                 6.2322                 6.2900
 IR Inten    --     13.0059                31.1984                26.8774
 RamAct Fr= 1--     70.2478                35.9533               123.1397
  Dep-P Fr= 1--      0.3545                 0.4895                 0.5460
  Dep-U Fr= 1--      0.5235                 0.6573                 0.7063
 Alpha2 Fr= 1--      0.6077                 0.1863                 0.4815
 Beta2  Fr= 1--      6.1288                 3.9387                14.4959
 AlphaG Fr= 1--     -0.3851                 0.2028                 0.0795
 Gamma2 Fr= 1--      3.0014                 1.1232                -1.6744
 Delta2 Fr= 1--      3.0085                 0.2144                 0.6255
 Raman1 Fr= 1--     280.991                143.813                492.559
 ROA1   Fr= 1--     384.408                114.690               -140.727
 CID1   Fr= 1--       1.368                  0.797                 -0.286
 Raman2 Fr= 1--      73.546                 47.264                173.951
 ROA2   Fr= 1--      47.966                 25.242                -45.190
 CID2   Fr= 1--       0.652                  0.534                 -0.260
 Raman3 Fr= 1--     147.091                 94.528                347.902
 ROA3   Fr= 1--     384.408                114.690               -140.727
 CID3   Fr= 1--       2.613                  1.213                 -0.405
 RC180  Fr= 1--       0.047                  0.315                  0.413
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.01  -0.07  -0.03     0.00  -0.02  -0.01    -0.00   0.01   0.00
     3   1     0.01  -0.02  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     4   1    -0.16   0.86   0.40    -0.04   0.21   0.09     0.02  -0.08  -0.04
     5   6    -0.01   0.01   0.02    -0.01  -0.05  -0.07    -0.08   0.04  -0.02
     6   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1     0.02  -0.13  -0.06    -0.07   0.64   0.29     0.01  -0.23  -0.12
     8   1    -0.06   0.01  -0.15     0.22  -0.05   0.62     0.12  -0.01   0.39
     9   1     0.13  -0.03   0.01    -0.08   0.01  -0.02     0.84  -0.21  -0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.02  -0.01     0.01  -0.01  -0.00    -0.00   0.01   0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    19   1     0.01   0.01   0.00    -0.03  -0.04  -0.01     0.01   0.02   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3163.8781              3167.9597              3177.2192
 Red. masses --      1.0853                 1.0866                 1.0898
 Frc consts  --      6.4010                 6.4253                 6.4820
 IR Inten    --      4.5529                 1.3490                 7.5763
 RamAct Fr= 1--     15.3079               108.3039               119.7337
  Dep-P Fr= 1--      0.4017                 0.7394                 0.5030
  Dep-U Fr= 1--      0.5731                 0.8501                 0.6693
 Alpha2 Fr= 1--      0.1127                 0.0196                 0.5831
 Beta2  Fr= 1--      1.4622                15.3457                13.3562
 AlphaG Fr= 1--     -0.0146                 0.0113                -0.0280
 Gamma2 Fr= 1--      0.8018                -2.0278                -2.0160
 Delta2 Fr= 1--      0.0892                 0.2933                 0.2857
 Raman1 Fr= 1--      61.232                433.215                478.935
 ROA1   Fr= 1--      79.831               -185.283               -184.395
 CID1   Fr= 1--       1.304                 -0.428                 -0.385
 Raman2 Fr= 1--      17.546                184.148                160.275
 ROA2   Fr= 1--      18.531                -51.013                -50.669
 CID2   Fr= 1--       1.056                 -0.277                 -0.316
 Raman3 Fr= 1--      35.093                368.297                320.550
 ROA3   Fr= 1--      79.831               -185.283               -184.395
 CID3   Fr= 1--       2.275                 -0.503                 -0.575
 RC180  Fr= 1--       0.146                  0.700                  0.339
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   1    -0.01   0.01   0.01    -0.00   0.02   0.01     0.00  -0.01  -0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   1     0.00  -0.02  -0.01    -0.01   0.04   0.02    -0.00   0.03   0.01
     8   1    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.01
     9   1     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.02  -0.05  -0.01     0.02  -0.04  -0.01    -0.01   0.04   0.01
    11   6     0.02   0.03   0.01     0.01   0.02   0.00     0.02   0.02   0.00
    12   6    -0.03   0.00   0.00     0.01  -0.00  -0.00    -0.05   0.01   0.00
    13   6     0.01  -0.03  -0.01    -0.01   0.04   0.01     0.01  -0.01  -0.00
    14   6     0.02   0.02   0.00    -0.03  -0.04  -0.01    -0.03  -0.04  -0.01
    15   1    -0.21   0.53   0.11    -0.21   0.52   0.10     0.16  -0.40  -0.08
    16   1    -0.29  -0.37  -0.06    -0.15  -0.20  -0.03    -0.20  -0.24  -0.04
    17   1     0.37  -0.05  -0.02    -0.12   0.02   0.01     0.62  -0.08  -0.03
    18   1    -0.15   0.37   0.08     0.17  -0.44  -0.09    -0.06   0.14   0.03
    19   1    -0.21  -0.28  -0.04     0.36   0.47   0.07     0.32   0.42   0.06
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3185.0587              3195.5923              3788.2078
 Red. masses --      1.0936                 1.0976                 1.0661
 Frc consts  --      6.5362                 6.6037                 9.0140
 IR Inten    --     30.3746                12.7331                17.7516
 RamAct Fr= 1--     22.7713               328.6072                43.6170
  Dep-P Fr= 1--      0.7494                 0.0994                 0.1096
  Dep-U Fr= 1--      0.8567                 0.1809                 0.1975
 Alpha2 Fr= 1--      0.0002                 5.7616                 0.7460
 Beta2  Fr= 1--      3.2515                 9.9050                 1.4355
 AlphaG Fr= 1--     -0.0003                 0.0656                -0.8039
 Gamma2 Fr= 1--      0.4275                 1.6566                 0.6570
 Delta2 Fr= 1--     -1.9920                 0.1148                -1.5413
 Raman1 Fr= 1--      91.085               1314.429                174.468
 ROA1   Fr= 1--     -22.701                162.703                 13.752
 CID1   Fr= 1--      -0.249                  0.124                  0.079
 Raman2 Fr= 1--      39.018                118.860                 17.226
 ROA2   Fr= 1--      26.196                 38.839                 28.099
 CID2   Fr= 1--       0.671                  0.327                  1.631
 Raman3 Fr= 1--      78.036                237.720                 34.453
 ROA3   Fr= 1--     -22.701                162.703                 13.752
 CID3   Fr= 1--      -0.291                  0.684                  0.399
 RC180  Fr= 1--       0.713                 -0.638                 -0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.05  -0.04
     2   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.33   0.76   0.56
     4   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
     5   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1    -0.00   0.02   0.01     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     8   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.03  -0.01     0.01  -0.01  -0.00     0.00  -0.00   0.00
    11   6    -0.03  -0.04  -0.01    -0.03  -0.04  -0.01    -0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.06   0.01   0.00     0.00   0.00   0.00
    13   6     0.02  -0.05  -0.01    -0.01   0.04   0.01    -0.00   0.00  -0.00
    14   6    -0.02  -0.03  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    15   1    -0.12   0.29   0.06    -0.07   0.17   0.03    -0.00   0.00   0.00
    16   1     0.37   0.46   0.08     0.30   0.38   0.07     0.00   0.00  -0.00
    17   1     0.02  -0.01  -0.00     0.66  -0.09  -0.04    -0.00  -0.00   0.00
    18   1    -0.22   0.54   0.11     0.17  -0.43  -0.09     0.00  -0.00   0.00
    19   1     0.26   0.33   0.05    -0.13  -0.16  -0.03    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   520.446801638.930051841.94092
           X            0.99974   0.01587  -0.01664
           Y           -0.01532   0.99935   0.03253
           Z            0.01714  -0.03227   0.99933
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16642     0.05285     0.04702
 Rotational constants (GHZ):           3.46768     1.10117     0.97980
 Zero-point vibrational energy     421859.0 (Joules/Mol)
                                  100.82673 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     23.78   180.34   285.20   341.41   366.91
          (Kelvin)            470.17   484.03   594.94   708.78   781.44
                              873.56   918.81  1023.96  1104.16  1135.88
                             1231.31  1301.50  1337.19  1383.09  1405.84
                             1461.34  1479.04  1516.96  1550.47  1568.72
                             1613.39  1706.20  1738.95  1769.65  1805.45
                             1915.59  1951.99  1997.06  2028.53  2032.08
                             2142.55  2148.39  2154.12  2209.19  2345.24
                             2373.40  4368.69  4396.22  4460.08  4478.24
                             4552.11  4557.99  4571.31  4582.59  4597.74
                             5450.39
 
 Zero-point correction=                           0.160678 (Hartree/Particle)
 Thermal correction to Energy=                    0.169260
 Thermal correction to Enthalpy=                  0.170204
 Thermal correction to Gibbs Free Energy=         0.126271
 Sum of electronic and zero-point Energies=           -386.114886
 Sum of electronic and thermal Energies=              -386.106303
 Sum of electronic and thermal Enthalpies=            -386.105359
 Sum of electronic and thermal Free Energies=         -386.149292
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.212             32.443             92.464
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.842
 Vibrational            104.435             26.482             23.309
 Vibration     1          0.593              1.986              7.013
 Vibration     2          0.610              1.928              3.016
 Vibration     3          0.637              1.842              2.150
 Vibration     4          0.656              1.784              1.823
 Vibration     5          0.665              1.754              1.696
 Vibration     6          0.710              1.622              1.276
 Vibration     7          0.717              1.603              1.229
 Vibration     8          0.777              1.441              0.914
 Vibration     9          0.848              1.266              0.677
 Vibration    10          0.898              1.155              0.559
 Vibration    11          0.966              1.017              0.438
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.830275D-58        -58.080778       -133.735934
 Total V=0       0.669472D+16         15.825732         36.440096
 Vib (Bot)       0.349049D-71        -71.457114       -164.536086
 Vib (Bot)    1  0.125332D+02          1.098063          2.528384
 Vib (Bot)    2  0.162837D+01          0.211753          0.487579
 Vib (Bot)    3  0.100659D+01          0.002854          0.006571
 Vib (Bot)    4  0.827331D+00         -0.082321         -0.189551
 Vib (Bot)    5  0.763495D+00         -0.117194         -0.269849
 Vib (Bot)    6  0.572897D+00         -0.241923         -0.557049
 Vib (Bot)    7  0.553192D+00         -0.257124         -0.592050
 Vib (Bot)    8  0.426736D+00         -0.369841         -0.851590
 Vib (Bot)    9  0.335805D+00         -0.473913         -1.091225
 Vib (Bot)   10  0.290845D+00         -0.536339         -1.234965
 Vib (Bot)   11  0.244120D+00         -0.612396         -1.410095
 Vib (V=0)       0.281447D+03          2.449396          5.639944
 Vib (V=0)    1  0.130432D+02          1.115384          2.568267
 Vib (V=0)    2  0.220340D+01          0.343094          0.790004
 Vib (V=0)    3  0.162393D+01          0.210569          0.484852
 Vib (V=0)    4  0.146668D+01          0.166336          0.383003
 Vib (V=0)    5  0.141265D+01          0.150034          0.345465
 Vib (V=0)    6  0.126040D+01          0.100509          0.231431
 Vib (V=0)    7  0.124567D+01          0.095403          0.219672
 Vib (V=0)    8  0.115735D+01          0.063463          0.146129
 Vib (V=0)    9  0.110230D+01          0.042300          0.097399
 Vib (V=0)   10  0.107844D+01          0.032795          0.075514
 Vib (V=0)   11  0.105641D+01          0.023833          0.054879
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.448696D+06          5.651952         13.014100
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                33333 3333                                             11 1111111111111111111                                  
     7                11111 1100                                             66 54444433322211000009999 8 77 7 66 5 4  4 33 221 1    
     8                98766 1053                                             53 39981185353082975217620 5 86 1 30 4 9  1 32 539 2   1
     8                65784 3066                                             00 57392087150961084867195 6 97 2 97 3 3  4 67 578 5   7
 
     X                XXXXX XXXX                                             XX XXXXXXXXXXXXXXXXXXXX XX   XX X XX X X    XX XXX X   X
     X                XXX   XXXX                                                  X XX  XXX   XXXXX  XX   XX X  X X       X  XX      
     X                XX    XXXX                                                  X XX  X X   XX  X   X    X X  X            XX      
     X                 X    XX                                                      X     X   XX  X   X    X X               XX      
                       X    XX                                                      X         XX  X        X X                X      
                       X    XX                                                      X         XX  X          X                X      
                       X     X                                                      X         X   X          X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                              X                               X      
                                                                                                                              X      
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000010607   -0.000003894   -0.000015466
      2        6           0.000011988   -0.000016401    0.000013738
      3        1           0.000000549    0.000004842    0.000004648
      4        1          -0.000001379    0.000001073   -0.000000397
      5        6           0.000001738    0.000014714   -0.000000918
      6        6          -0.000006534    0.000004770   -0.000007101
      7        1           0.000003652   -0.000003528   -0.000005103
      8        1          -0.000000167   -0.000002216   -0.000000850
      9        1          -0.000002074   -0.000002505    0.000001630
     10        6          -0.000001392    0.000007623    0.000006984
     11        6           0.000005481    0.000001035    0.000001684
     12        6           0.000002310    0.000001010    0.000000265
     13        6          -0.000000749   -0.000002178    0.000001306
     14        6           0.000001024   -0.000005008    0.000003343
     15        1           0.000001047    0.000000213   -0.000003368
     16        1          -0.000001346    0.000001802    0.000000536
     17        1           0.000000037   -0.000001694   -0.000000039
     18        1           0.000002046   -0.000000144   -0.000000166
     19        1          -0.000005624    0.000000486   -0.000000726
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016401 RMS     0.000005420
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129191D+03  0.950164D+00 -0.170568D+01
      2   0.950164D+00  0.104742D+03  0.557671D+01
      3  -0.170568D+01  0.557671D+01  0.745951D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.373421D+00 -0.849389D+01 -0.276817D+01
      2   0.117525D+02 -0.101260D+02  0.566465D+01
      3   0.224440D+01  0.413255D+02  0.955490D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.936898D+02 -0.440677D+01  0.844079D+01
      2   0.333921D+02  0.109447D+02  0.795351D+01
      3   0.602976D+02 -0.653790D+01 -0.163943D+02
      4   0.155604D+02 -0.827543D+02 -0.256045D+02
      5  -0.193557D+02 -0.261865D+02  0.195150D+02
      6  -0.103955D+02 -0.158956D+02  0.102429D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.515028D+01 -0.108066D+01  0.247680D+01 -0.215849D+01  0.204008D+01
      2  -0.108066D+01  0.679249D+00 -0.368427D+00  0.204008D+01 -0.301600D+01
      3   0.247680D+01 -0.368427D+00  0.267048D+01 -0.103031D+01  0.700739D-01
                 6             7             8             9            10 
      1  -0.103031D+01  0.497462D+01 -0.909629D+00  0.390101D+01 -0.274576D+01
      2   0.700739D-01 -0.909629D+00 -0.134281D+01 -0.301283D+01 -0.106737D+00
      3  -0.314491D+01  0.390101D+01 -0.301283D+01  0.319683D+01 -0.540835D+00
                11            12            13            14            15 
      1  -0.106737D+00 -0.540835D+00 -0.123932D+01 -0.257479D+01  0.182571D+01
      2  -0.669801D+00  0.141262D+01 -0.257479D+01  0.396957D+01  0.316852D+01
      3   0.141262D+01 -0.238772D+01  0.182571D+01  0.316852D+01  0.639052D-01
                16            17            18            19            20 
      1  -0.258348D+01  0.183746D+01 -0.492417D+01 -0.556392D+00  0.484288D+00
      2   0.183746D+01  0.379064D+01  0.162169D+01  0.484288D+00 -0.392669D+00
      3  -0.492417D+01  0.162169D+01 -0.155166D+01  0.117614D+00 -0.384330D+00
                21            22            23            24            25 
      1   0.117614D+00  0.175369D+01 -0.157769D+00  0.210302D+00  0.126637D+01
      2  -0.384330D+00 -0.157769D+00  0.207715D+01  0.169665D+01 -0.185344D+00
      3  -0.115192D+01  0.210302D+00  0.169665D+01  0.279772D+01  0.178458D+00
                26            27            28            29            30 
      1  -0.185344D+00  0.178458D+00  0.294055D+00 -0.129618D+01 -0.741053D+00
      2   0.170560D+01  0.122843D+01 -0.129618D+01  0.124327D+01  0.225457D+00
      3   0.122843D+01  0.377604D+01 -0.741053D+00  0.225457D+00  0.712641D+00
                31            32            33            34            35 
      1  -0.243752D+01  0.196557D+01  0.381970D+00 -0.104094D+01  0.421397D+00
      2   0.196557D+01 -0.621783D+01 -0.182600D+01  0.421397D+00 -0.222595D+01
      3   0.381970D+00 -0.182600D+01 -0.170250D+01  0.108463D+01 -0.171453D+01
                36            37            38            39            40 
      1   0.108463D+01 -0.856472D+01  0.220738D+01  0.458592D-01  0.494353D+01
      2  -0.171453D+01  0.220738D+01  0.123685D+01 -0.119753D+01  0.148332D+01
      3  -0.151467D+01  0.458592D-01 -0.119753D+01  0.319919D+01 -0.163221D+01
                41            42            43            44            45 
      1   0.148332D+01 -0.163221D+01 -0.145830D+01 -0.153011D+01  0.276911D+01
      2  -0.340578D+01 -0.306321D+01 -0.153011D+01 -0.300123D+01 -0.605654D+00
      3  -0.306321D+01  0.125770D-03  0.276911D+01 -0.605654D+00  0.477188D+01
                46            47            48            49            50 
      1   0.154829D+02 -0.167341D+01  0.614581D+00 -0.282240D+01 -0.130918D+01
      2  -0.167341D+01  0.255190D+01  0.329747D-01 -0.130918D+01 -0.678680D+00
      3   0.614581D+00  0.329747D-01  0.228626D+01 -0.146927D+01 -0.418439D+00
                51            52            53            54            55 
      1  -0.146927D+01 -0.131741D+01 -0.946239D+00  0.350746D+01  0.609174D+00
      2  -0.418439D+00 -0.946239D+00 -0.285734D+00 -0.448106D+00  0.638662D+00
      3  -0.110664D+00  0.350746D+01 -0.448106D+00 -0.362559D+00  0.524158D+00
                56            57            58            59            60 
      1   0.638662D+00  0.524158D+00  0.177452D+01  0.878152D+00 -0.616442D-01
      2   0.599321D-03  0.224847D+00  0.878152D+00  0.636046D+01  0.109005D+01
      3   0.224847D+00 -0.428766D+00 -0.616442D-01  0.109005D+01  0.167544D+01
                61            62            63            64            65 
      1   0.129296D+01  0.519595D+00 -0.222378D+00 -0.238818D-01 -0.130662D+00
      2   0.519595D+00  0.202506D+01  0.128778D+01 -0.130662D+00 -0.517337D+00
      3  -0.222378D+00  0.128778D+01  0.683029D+00 -0.101783D+01  0.381710D+00
                66            67            68            69            70 
      1  -0.101783D+01 -0.476286D+00 -0.115298D+00  0.155428D+00 -0.167878D+01
      2   0.381710D+00 -0.115298D+00  0.737051D+00 -0.947428D+00 -0.130478D+00
      3  -0.196992D+01  0.155428D+00 -0.947428D+00  0.545006D+00 -0.180387D-01
                71            72            73            74            75 
      1  -0.130478D+00 -0.180387D-01  0.133048D+02 -0.537906D+00 -0.150119D+01
      2  -0.116363D+01  0.121367D+01 -0.537906D+00  0.109312D+01 -0.935630D-02
      3   0.121367D+01 -0.880242D+01 -0.150119D+01 -0.935630D-02  0.122605D+01
                76            77            78            79            80 
      1  -0.256137D+01  0.114736D+01  0.519278D+00 -0.109968D+00  0.172893D+00
      2   0.114736D+01 -0.325606D+00  0.187462D+00  0.172893D+00  0.364991D+00
      3   0.519278D+00  0.187462D+00 -0.512382D+00  0.119050D+01 -0.293391D-01
                81            82            83            84            85 
      1   0.119050D+01 -0.440724D+01  0.256478D+01  0.226577D+00 -0.581819D+01
      2  -0.293391D-01  0.256478D+01  0.255781D+01  0.173228D+00  0.212390D+00
      3  -0.785259D+00  0.226577D+00  0.173228D+00  0.143694D+01 -0.204961D+00
                86            87            88            89            90 
      1   0.212390D+00 -0.204961D+00 -0.112094D+01 -0.572502D+00  0.103987D+01
      2  -0.157781D+01  0.803164D+00 -0.572502D+00  0.108778D+01 -0.349804D+01
      3   0.803164D+00 -0.201662D+01  0.103987D+01 -0.349804D+01 -0.231746D+01
                91            92            93            94            95 
      1   0.165717D+01 -0.558394D+00  0.454957D-01 -0.533699D+01  0.776613D+00
      2  -0.558394D+00 -0.314773D+01 -0.643605D+00  0.776613D+00 -0.582793D+00
      3   0.454957D-01 -0.643605D+00 -0.197313D+01  0.601778D+00  0.120297D+01
                96            97            98            99           100 
      1   0.601778D+00 -0.105789D+01  0.667985D+00 -0.297372D+01 -0.512719D+01
      2   0.120297D+01  0.667985D+00  0.152310D+01 -0.314781D+01  0.909962D-01
      3  -0.207803D+01 -0.297372D+01 -0.314781D+01 -0.147241D+01 -0.248805D+00
               101           102           103           104           105 
      1   0.909962D-01 -0.248805D+00  0.729027D+00  0.529830D+00  0.140725D+01
      2  -0.338562D+01  0.890388D-02  0.529830D+00 -0.212038D+00 -0.530241D+00
      3   0.890388D-02 -0.338880D+01  0.140725D+01 -0.530241D+00  0.252438D+00
               106           107           108           109           110 
      1   0.122012D-01  0.118752D+01 -0.518354D+01  0.362982D+01 -0.596692D+00
      2   0.118752D+01 -0.145649D+00  0.449349D+00 -0.596692D+00 -0.203253D+01
      3  -0.518354D+01  0.449349D+00  0.645096D+00 -0.236688D+00  0.109837D+00
               111           112           113           114           115 
      1  -0.236688D+00  0.503517D+01 -0.195344D+00  0.294151D+00  0.105149D+01
      2   0.109837D+00 -0.195344D+00  0.133355D+01 -0.102236D+01  0.533451D+00
      3  -0.102471D+01  0.294151D+00 -0.102236D+01  0.243303D+01 -0.178117D+01
               116           117           118           119           120 
      1   0.533451D+00 -0.178117D+01 -0.353707D+01 -0.682715D+00 -0.448892D-01
      2  -0.125421D+01  0.371848D+01 -0.682715D+00  0.338090D+01  0.434840D+00
      3   0.371848D+01  0.242444D+01 -0.448892D-01  0.434840D+00  0.208653D+01
               121           122           123           124           125 
      1   0.760518D+01  0.128001D+00  0.494976D-01  0.168750D+01 -0.614008D-01
      2   0.128001D+00  0.124371D+01 -0.537619D+00 -0.614008D-01 -0.118146D+01
      3   0.494976D-01 -0.537619D+00  0.164569D+01  0.193709D+01  0.297785D+01
               126           127           128           129           130 
      1   0.193709D+01  0.159331D+01 -0.184690D+01 -0.397826D+00 -0.149787D+01
      2   0.297785D+01 -0.184690D+01  0.225401D+01  0.443360D+00  0.207165D+01
      3   0.134529D+01 -0.397826D+00  0.443360D+00  0.329047D+00  0.436148D+00
               131           132           133           134           135 
      1   0.207165D+01  0.436148D+00 -0.412322D+00  0.534121D+00  0.430035D-01
      2  -0.869684D+01 -0.152540D+01  0.534121D+00 -0.168251D+01 -0.456457D+00
      3  -0.152540D+01 -0.110570D+01  0.430035D-01 -0.456457D+00 -0.226728D+00
               136           137           138           139           140 
      1  -0.498945D+01 -0.387438D+01 -0.633091D+00 -0.368779D+01 -0.442830D+01
      2  -0.387438D+01 -0.359097D+01 -0.466631D+00 -0.442830D+01 -0.657596D+01
      3  -0.633091D+00 -0.466631D+00 -0.638062D+00 -0.775666D+00 -0.100439D+01
               141           142           143           144           145 
      1  -0.775666D+00 -0.630392D+00 -0.768360D+00 -0.208878D+00 -0.131602D+02
      2  -0.100439D+01 -0.768360D+00 -0.125706D+01 -0.279429D+00  0.134291D+01
      3  -0.891109D+00 -0.208878D+00 -0.279429D+00 -0.196791D+00  0.621226D+00
               146           147           148           149           150 
      1   0.134291D+01  0.621226D+00  0.128834D+01 -0.164450D+01 -0.379625D+00
      2  -0.890799D+00 -0.449578D-01 -0.164450D+01  0.466034D+00  0.995594D-01
      3  -0.449578D-01 -0.894380D+00 -0.379625D+00  0.995594D-01  0.144748D+00
               151           152           153           154           155 
      1   0.521989D+00 -0.387594D+00 -0.396932D-01 -0.226024D+01  0.260689D+01
      2  -0.387594D+00  0.842471D-01  0.298424D-01  0.260689D+01 -0.281951D+01
      3  -0.396932D-01  0.298424D-01  0.326942D-01  0.568838D+00 -0.560401D+00
               156           157           158           159           160 
      1   0.568838D+00  0.222953D+01 -0.373148D+01 -0.775792D+00  0.522628D+00
      2  -0.560401D+00 -0.373148D+01  0.936781D+01  0.177149D+01 -0.824834D+00
      3  -0.464900D+00 -0.775792D+00  0.177149D+01  0.116415D+01 -0.225315D+00
               161           162           163           164           165 
      1  -0.824834D+00 -0.225315D+00  0.365059D+01  0.244872D+01  0.121065D+00
      2   0.193390D+01  0.422659D+00  0.244872D+01  0.244925D+01  0.227456D+00
      3   0.422659D+00  0.252546D+00  0.121065D+00  0.227456D+00  0.375181D+00
               166           167           168           169           170 
      1   0.267726D+01  0.292371D+01  0.447956D+00  0.806636D-01  0.442066D+00
      2   0.292371D+01  0.573400D+01  0.785141D+00  0.442066D+00  0.102494D+01
      3   0.447956D+00  0.785141D+00  0.839641D+00 -0.742391D-01  0.242430D+00
               171 
      1  -0.742391D-01
      2   0.242430D+00
      3   0.102118D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.465444D+00  0.384038D+01  0.165081D+01  0.770482D+00 -0.536805D+01
      2   0.162865D+01  0.822538D+00  0.122854D+02  0.249979D+01 -0.232079D+01
      3  -0.879300D+00 -0.808865D+01 -0.169429D+01 -0.365367D+01  0.644925D+01
                 6             7             8             9            10 
      1  -0.750033D+01  0.252971D+01  0.708344D+00  0.167505D+00  0.212484D+00
      2  -0.763483D+01  0.542170D+01 -0.757772D+01  0.555660D+01 -0.129976D+00
      3   0.183282D+01 -0.329933D+01  0.253999D+01  0.537432D+01  0.439317D+01
                11            12            13            14            15 
      1   0.477736D+00  0.722835D-01  0.112348D+01  0.836531D+00 -0.343842D+01
      2   0.815413D+00 -0.375990D+01  0.124320D+01  0.592265D+01  0.106424D+01
      3   0.345614D+01 -0.478682D+00  0.129482D+02 -0.771323D+01 -0.830610D+01
                16            17            18            19            20 
      1  -0.169494D+01  0.762123D+00 -0.140775D+01  0.202204D+01 -0.198399D+01
      2  -0.146957D+02  0.459443D+01 -0.472825D+01  0.381841D+01 -0.199732D+01
      3  -0.284241D+00 -0.986356D+01 -0.149219D+01 -0.249239D+01  0.225542D+01
                21            22            23            24            25 
      1  -0.916805D+00 -0.147484D+01  0.564319D+01  0.350719D+01 -0.413497D+00
      2  -0.303139D+01 -0.283873D+01  0.492046D+01  0.704555D+01 -0.170092D+01
      3   0.106590D+01  0.340496D+01 -0.476909D+01 -0.455755D+01  0.187911D+00
                26            27            28            29            30 
      1   0.425067D+01  0.427902D+01  0.152961D-01 -0.595558D+00  0.589534D+00
      2   0.350151D+01  0.828802D+01 -0.170910D+01  0.295517D+00  0.197872D+01
      3  -0.313743D+01 -0.380884D+01  0.340451D+01 -0.300691D+01 -0.142071D+00
                31            32            33            34            35 
      1  -0.121147D+00  0.157051D+01 -0.268499D+01  0.693387D+00  0.101689D+01
      2  -0.434940D+00 -0.333571D+01 -0.366354D+01  0.156806D+00 -0.311009D+01
      3   0.121528D+01  0.125071D+02  0.381466D+01  0.759098D+00  0.501932D+01
                36            37            38            39            40 
      1  -0.851586D+00 -0.272726D+01 -0.179480D+01 -0.136587D+01  0.115054D+00
      2  -0.246535D+01 -0.743325D+01 -0.710412D+00  0.115363D+02 -0.154048D+00
      3   0.310092D+01 -0.148029D+02 -0.658176D+01  0.387156D+01 -0.194403D+00
                41            42            43            44            45 
      1   0.602043D+01  0.173413D+01  0.744038D+00  0.657300D+01 -0.476924D+01
      2  -0.690964D+01 -0.229174D+01  0.282309D+01 -0.366076D+01  0.171556D+02
      3   0.128234D+02  0.870375D+01  0.351068D+01  0.888947D+01  0.339605D+01
                46            47            48            49            50 
      1   0.638120D+00  0.312929D+00  0.463011D+00  0.106568D+01 -0.212853D+01
      2   0.183690D+01 -0.133039D+01 -0.582550D+00 -0.723596D+00 -0.981033D+00
      3  -0.142592D+01  0.396507D+01  0.699513D+00  0.144690D+02 -0.101909D+01
                51            52            53            54            55 
      1   0.182666D+01  0.840791D+00  0.100331D+02  0.206133D+01 -0.153699D+01
      2   0.119977D+00 -0.151504D+02 -0.353686D+00 -0.639229D+00  0.180994D+01
      3   0.182017D+01 -0.128167D+00  0.661600D+00 -0.581728D+00 -0.348856D+01
                56            57            58            59            60 
      1  -0.726413D-02  0.434007D+00 -0.383719D-01 -0.804970D+01 -0.539502D+01
      2   0.856089D+00 -0.433513D+00  0.529047D+00  0.392398D+01  0.453241D+01
      3   0.907798D+00  0.450413D+00  0.293370D+01 -0.186826D+02 -0.441988D+01
                61            62            63            64            65 
      1  -0.177772D-01 -0.210122D+01 -0.266332D+01  0.921604D+00  0.124341D+01
      2  -0.124888D+01  0.348429D+01  0.182114D+01 -0.434248D+01  0.492656D+00
      3   0.139424D+01 -0.639431D+01 -0.444894D+01  0.564584D-02  0.901489D+00
                66            67            68            69            70 
      1   0.122579D+01  0.567372D+00 -0.311631D+00 -0.477512D+00  0.627622D+00
      2  -0.552630D+01 -0.141209D+00 -0.236544D+01  0.170181D+01 -0.493985D+01
      3  -0.155414D+01  0.154752D+01 -0.200226D+01  0.227318D+01 -0.145719D+01
                71            72            73            74            75 
      1   0.283813D+01  0.527554D+01  0.156970D+01 -0.165487D+01 -0.629017D+00
      2   0.292782D+01 -0.227473D+02  0.814859D+01 -0.627628D+00  0.501694D+01
      3   0.265586D+01 -0.389097D+01  0.991508D+01 -0.700966D+01 -0.880698D+00
                76            77            78            79            80 
      1  -0.136404D+01  0.166282D+00 -0.800677D+00 -0.776484D+00  0.232087D+00
      2  -0.709648D+00  0.164123D+01 -0.134819D+01  0.163061D+01 -0.176509D-01
      3  -0.361673D+01  0.137954D+01 -0.808177D+00 -0.917768D+00 -0.890338D+00
                81            82            83            84            85 
      1   0.287227D+00 -0.704287D+00 -0.990573D+00  0.194909D+01 -0.119145D+01
      2  -0.134814D+01 -0.267196D+01  0.161743D+01 -0.153020D+01  0.124773D+01
      3   0.635733D+00  0.530155D+01 -0.472808D+01 -0.170757D+01  0.463819D+01
                86            87            88            89            90 
      1   0.381936D+00 -0.311583D+01  0.395290D+01  0.100401D+01 -0.779229D+00
      2   0.857265D+00  0.184962D+01 -0.123486D+02  0.161985D+01  0.218242D+01
      3  -0.518964D+01 -0.462552D+00 -0.137597D+01  0.368521D+00 -0.476888D+01
                91            92            93            94            95 
      1  -0.143645D+00  0.390385D+00 -0.277372D+01  0.118562D+01  0.438969D-01
      2   0.918544D+00  0.143078D+01  0.264216D+01 -0.109996D+01 -0.293670D+01
      3  -0.285442D+01 -0.950484D+01 -0.153681D+01  0.659166D+01 -0.156502D+01
                96            97            98            99           100 
      1  -0.232829D+01 -0.618524D+01  0.392909D+01  0.861523D+00  0.144267D+00
      2   0.651416D+01 -0.345953D+01  0.904557D+01  0.399940D+01 -0.554658D+00
      3   0.209857D+01  0.775861D+00  0.277223D+01 -0.391196D+01  0.209224D+01
               101           102           103           104           105 
      1   0.108074D+00  0.124417D+01 -0.710236D-01 -0.310726D+01  0.274212D+01
      2  -0.554488D+00  0.886199D+01 -0.409506D+01 -0.130478D+00 -0.158571D+01
      3  -0.726331D+01  0.341781D+00  0.109714D+02  0.188874D+01 -0.485066D+00
               106           107           108           109           110 
      1   0.209320D+01  0.105224D+02  0.265933D+01  0.658590D+00 -0.321112D+00
      2   0.697075D+01 -0.202330D+01 -0.175179D+01  0.148061D+01  0.265118D+01
      3   0.359158D+01 -0.414516D+00  0.629655D+00 -0.271443D+01 -0.126881D+02
               111           112           113           114           115 
      1   0.211606D+01 -0.904540D+00  0.556057D+00 -0.390755D+01  0.457392D+01
      2   0.484141D+00  0.107451D+01  0.303267D+01 -0.578858D+01 -0.791676D+01
      3  -0.238146D+01  0.455652D+01  0.913143D+00 -0.209452D+01 -0.323823D-02
               116           117           118           119           120 
      1   0.105841D+01 -0.114882D+01 -0.139639D+01 -0.346604D-01 -0.359786D+01
      2  -0.860239D+01 -0.398569D+01 -0.158052D+01  0.529714D+00 -0.206039D+01
      3  -0.247122D+01  0.452590D+01 -0.559277D+00 -0.256114D+00  0.554186D+00
               121           122           123           124           125 
      1   0.722544D+00 -0.544045D+00 -0.212358D+01 -0.650718D+01  0.312178D+01
      2   0.302039D+01 -0.637056D+00 -0.964348D+00 -0.121202D+02 -0.306234D+00
      3   0.245107D+01  0.467543D+01 -0.378193D+00 -0.139958D+01  0.661620D-01
               126           127           128           129           130 
      1  -0.837973D-01  0.267840D-01 -0.189881D+00  0.155776D+01  0.327225D-01
      2  -0.426275D+00  0.131978D+01 -0.976765D+00  0.192133D+00 -0.120302D+01
      3   0.527068D+01 -0.616621D+01  0.393779D+01  0.101961D+01  0.684566D+01
               131           132           133           134           135 
      1   0.716558D+00 -0.410488D+01 -0.407992D+00  0.221109D+01 -0.277681D+00
      2   0.190559D+01 -0.298236D+00 -0.186165D+01  0.541115D+00 -0.683756D-01
      3  -0.870290D+01 -0.193767D+01  0.136684D+01 -0.172228D+01 -0.349836D+00
               136           137           138           139           140 
      1   0.234304D+00  0.621954D+00 -0.224851D+01 -0.132690D+00  0.367514D+00
      2  -0.705502D-01  0.177589D-01  0.282342D+01  0.765259D+00  0.141437D+01
      3  -0.153579D+01 -0.487570D+01 -0.255477D+00 -0.345533D+01 -0.109447D+02
               141           142           143           144           145 
      1  -0.326058D+01  0.829037D+00  0.164068D+01 -0.346581D+00 -0.121393D+00
      2   0.342268D+01 -0.926438D+00 -0.289819D+00  0.458111D+00 -0.956275D+00
      3  -0.134277D+01 -0.873543D+00 -0.224011D+01 -0.346336D+00  0.560989D+00
               146           147           148           149           150 
      1  -0.207962D+00  0.636600D+00  0.746488D-01 -0.441736D-01 -0.406839D+00
      2  -0.326601D-01  0.604812D+01  0.151560D+01 -0.297580D+00 -0.913892D+00
      3  -0.532393D+01  0.115319D+00 -0.354476D+01  0.143138D+01  0.251826D+00
               151           152           153           154           155 
      1  -0.404445D+00  0.636174D+00  0.365118D-01 -0.175691D+00 -0.768032D-01
      2  -0.282289D+01  0.131541D+00 -0.153537D+00 -0.280142D+00  0.435128D+00
      3  -0.150605D+01  0.513968D+00  0.264348D-01  0.681779D+00 -0.242620D+01
               156           157           158           159           160 
      1   0.167816D+01  0.272746D+00  0.261504D+00 -0.436676D+01 -0.539974D+00
      2   0.151472D+01  0.486439D+00 -0.249369D+01 -0.310379D+01 -0.565106D+00
      3  -0.284013D+00 -0.124735D+01  0.136467D+02  0.228093D+01 -0.394528D+00
               161           162           163           164           165 
      1   0.202815D+01 -0.497371D+00  0.827904D+00  0.862606D+00 -0.208549D+01
      2   0.876402D-02 -0.536514D+00 -0.208797D+01 -0.949305D+00  0.836826D+00
      3   0.280870D+01  0.558433D+00  0.100948D+02  0.396762D+01  0.115086D-01
               166           167           168           169           170 
      1   0.223237D+00  0.203732D+00 -0.319540D+01  0.532314D+00  0.189697D+01
      2  -0.981735D+00 -0.121009D+01  0.134241D+01 -0.184639D+01 -0.381402D+00
      3   0.773956D+01  0.534205D+01  0.861635D+00  0.533986D-01  0.837938D+00
               171 
      1  -0.172077D-01
      2   0.244054D+00
      3   0.815593D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.203269D+02 -0.333195D+01  0.281164D+01 -0.312201D+01  0.458503D+01
      2  -0.141986D+02 -0.102977D+00 -0.758009D+01  0.380483D+00  0.398052D+01
      3  -0.612828D+01  0.343492D+01  0.476845D+01  0.274153D+01 -0.856555D+01
      4  -0.575047D+01  0.138503D+02 -0.257253D+01  0.162469D+02 -0.153777D+02
      5   0.163161D+02 -0.324522D+01  0.224248D+02 -0.733151D+01  0.310575D+01
      6  -0.490984D+01  0.508410D+01 -0.122790D+01  0.516119D+01 -0.100438D+02
                 6             7             8             9            10 
      1   0.762202D+01  0.252334D+01  0.495488D+01  0.299863D-01  0.725018D+01
      2   0.374855D+01 -0.121119D+02  0.338839D+01 -0.120012D+02 -0.355227D+01
      3  -0.113706D+02  0.958857D+01 -0.834327D+01  0.119712D+02 -0.369791D+01
      4   0.997883D+00 -0.531662D+01 -0.251679D+01 -0.142726D+02 -0.355488D+01
      5  -0.126602D+02  0.293848D+02 -0.121110D+02  0.225699D+02 -0.467830D+01
      6   0.366934D+01 -0.442172D+01  0.693459D+01 -0.124644D+02  0.366470D+01
                11            12            13            14            15 
      1  -0.322604D+01  0.595391D+00 -0.114634D+02  0.383143D+00  0.551651D+01
      2   0.164981D+01  0.116410D+01  0.875587D+01 -0.590836D+01 -0.982642D+01
      3   0.157623D+01 -0.175949D+01  0.270757D+01  0.552522D+01  0.430992D+01
      4  -0.136647D+02  0.588446D+01 -0.151477D+02  0.184144D+02  0.157892D+02
      5   0.636089D+01 -0.176600D+02  0.127902D+02  0.151223D+02 -0.449712D+00
      6   0.251742D+01  0.603735D-01  0.605621D+01 -0.563619D+01 -0.605854D+01
                16            17            18            19            20 
      1   0.586190D+00  0.545579D+01 -0.589555D+01 -0.162062D+01  0.219605D+01
      2   0.690818D+01 -0.569356D+01  0.702505D+01  0.319383D+00  0.177148D+00
      3  -0.749437D+01  0.237775D+00 -0.112951D+01  0.130124D+01 -0.237319D+01
      4   0.116962D+02  0.173446D+02  0.646954D+01  0.193415D+01 -0.320546D+01
      5  -0.324505D+02  0.562637D+01 -0.844183D+01  0.620583D+00 -0.363679D+00
      6   0.317455D+01 -0.105070D+02  0.453858D+01  0.179585D+01 -0.195539D+01
                21            22            23            24            25 
      1   0.526103D+01  0.447996D+01 -0.610921D+01 -0.570435D+01  0.422396D+01
      2   0.795825D+00 -0.233616D+01 -0.266389D+00 -0.351764D+01 -0.192979D+01
      3  -0.605686D+01 -0.214380D+01  0.637560D+01  0.922199D+01 -0.229418D+01
      4  -0.160246D+01 -0.495724D+00  0.876187D+01  0.719904D+01 -0.113128D+01
      5  -0.282838D+01  0.301690D+01  0.530616D+01  0.998530D+01  0.375982D+01
      6  -0.968841D+00 -0.936068D+00  0.681705D+01  0.726887D+01 -0.840870D+00
                26            27            28            29            30 
      1  -0.367765D+01 -0.848123D+01  0.241122D+01 -0.328686D+01 -0.186179D+01
      2  -0.255800D+01 -0.576459D+01  0.181712D+01  0.297824D+00  0.498715D+00
      3   0.623565D+01  0.142458D+02 -0.422834D+01  0.298903D+01  0.136308D+01
      4   0.597898D+01  0.543380D+01 -0.804502D+01  0.112326D+02  0.239759D+01
      5   0.404619D+01  0.114060D+02 -0.382653D+01  0.225668D+01  0.562544D+01
      6   0.564503D+01  0.438077D+01  0.306707D+01 -0.202183D+01 -0.801789D+00
                31            32            33            34            35 
      1  -0.217404D+01 -0.995329D+01 -0.312638D+01 -0.165398D+01 -0.396856D+01
      2  -0.213722D+01  0.192477D+02  0.499020D+01  0.159009D+00  0.350682D+01
      3   0.431126D+01 -0.929437D+01 -0.186382D+01  0.149498D+01  0.461741D+00
      4   0.130675D+02 -0.280576D+02 -0.838766D+01  0.321182D+01 -0.102829D+02
      5   0.290898D+01 -0.749410D+01 -0.726739D+01  0.681771D+01 -0.677649D+01
      6  -0.320851D+01  0.109796D+02  0.777848D+01 -0.261719D+01  0.917930D+01
                36            37            38            39            40 
      1  -0.344990D+01 -0.554100D+02  0.764028D+01  0.107839D+02  0.191678D+02
      2   0.138097D+01  0.323719D+02 -0.300614D+01  0.140628D+01 -0.118452D+02
      3   0.206892D+01  0.230381D+02 -0.463414D+01 -0.121902D+02 -0.732260D+01
      4  -0.761314D+01  0.970774D+01  0.106056D+02 -0.506283D+01  0.110382D+02
      5  -0.614689D+01  0.115617D+02 -0.767154D+01  0.154347D+02 -0.139428D+02
      6   0.649259D+01 -0.573209D+01 -0.412372D+01  0.618387D+01 -0.527517D+01
                41            42            43            44            45 
      1   0.821622D+01 -0.441383D+01  0.665808D+00 -0.289370D+01  0.260772D+02
      2  -0.161354D+02 -0.291918D+01  0.217905D+01 -0.641921D+01  0.800140D+00
      3   0.791922D+01  0.733301D+01 -0.284486D+01  0.931291D+01 -0.268774D+02
      4  -0.164335D+02 -0.172690D+02 -0.894052D+01 -0.168113D+02  0.185159D+01
      5  -0.183286D+02  0.155784D+01  0.150512D+02 -0.989156D+00  0.142285D+02
      6  -0.241619D+01  0.498119D+01  0.460976D+01  0.360136D+01  0.424029D+01
                46            47            48            49            50 
      1  -0.189886D+02  0.385045D+01  0.182299D+01  0.327212D+00 -0.928027D+01
      2   0.577250D+01 -0.278076D+01 -0.816100D+00  0.395976D+01  0.156437D+02
      3   0.132161D+02 -0.106969D+01 -0.100689D+01 -0.428697D+01 -0.636344D+01
      4  -0.974707D+00  0.498887D+01 -0.413075D+00 -0.106684D+02  0.200234D+01
      5   0.660896D+01 -0.565060D+00  0.316812D+01 -0.611694D+01 -0.133860D+01
      6  -0.266559D+01  0.136955D-01 -0.249923D+01  0.180619D+01  0.465282D+01
                51            52            53            54            55 
      1  -0.939151D+00  0.237456D+00 -0.154518D+01 -0.779902D+01  0.545349D+01
      2   0.686903D+01  0.307083D+01  0.319273D+01 -0.298805D+01 -0.764441D-01
      3  -0.592988D+01 -0.330829D+01 -0.164755D+01  0.107871D+02 -0.537705D+01
      4  -0.159277D+01 -0.419490D+01 -0.136030D+01 -0.282913D+00  0.336524D+01
      5   0.873129D-01  0.563622D+01 -0.354217D+00  0.717300D-01  0.103322D+01
      6  -0.252347D+01 -0.865709D+00  0.567704D+01 -0.257859D+01  0.972996D+00
                56            57            58            59            60 
      1   0.356892D+01  0.177604D+00  0.583304D+01 -0.100540D+02 -0.842888D+00
      2  -0.135018D+01 -0.822382D+00 -0.965069D+00  0.266144D+02  0.599535D+01
      3  -0.221874D+01  0.644777D+00 -0.486797D+01 -0.165604D+02 -0.515246D+01
      4   0.310172D+01  0.192076D+01  0.984390D+01  0.330045D+02  0.590366D+01
      5   0.782646D+00 -0.129068D+01 -0.117722D+01  0.674906D+01  0.860982D+01
      6   0.392278D+00 -0.113135D+01 -0.890257D+00 -0.376585D+01  0.438965D+01
                61            62            63            64            65 
      1   0.419085D+01 -0.334174D+00 -0.497380D+01 -0.787513D+00  0.732479D+00
      2  -0.194471D+01  0.600131D+01  0.366109D+01 -0.322948D+01 -0.426332D+00
      3  -0.224614D+01 -0.566714D+01  0.131270D+01  0.401699D+01 -0.306147D+00
      4   0.489074D+01  0.111395D+02  0.585010D+01 -0.171914D+01 -0.157863D+01
      5  -0.219417D+00  0.638640D+01  0.449214D+01 -0.182846D+01  0.106171D+01
      6  -0.139543D+00  0.376944D+01  0.258582D+01 -0.874963D+00  0.245988D+01
                66            67            68            69            70 
      1  -0.112054D+02 -0.154576D+01 -0.556858D+01  0.297023D+01 -0.869221D+01
      2  -0.409994D+00  0.959560D+00  0.223255D+01 -0.138202D+01  0.419564D+01
      3   0.116154D+02  0.586201D+00  0.333602D+01 -0.158821D+01  0.449657D+01
      4  -0.538317D+00  0.761024D+00  0.305237D+01 -0.344093D+01 -0.299993D+01
      5  -0.221326D+01  0.989287D+00 -0.262188D+01  0.219680D+01  0.722391D+01
      6  -0.288323D+01  0.616163D+00 -0.236071D+01  0.787526D+01 -0.108137D+00
                71            72            73            74            75 
      1   0.395410D+01 -0.279768D+02  0.895524D+02 -0.505838D+01 -0.738050D+01
      2  -0.122097D+00 -0.146964D+02 -0.495085D+02  0.386208D+01  0.652368D+01
      3  -0.383200D+01  0.426732D+02 -0.400438D+02  0.119630D+01  0.856825D+00
      4  -0.487683D+01  0.270832D+01  0.349270D+01  0.105122D+02 -0.414835D+00
      5   0.498729D+01 -0.346739D+02 -0.256250D+02  0.113441D+01  0.132881D+02
      6   0.753822D+01 -0.127627D+02  0.122639D+01 -0.280744D+01  0.860297D+00
                76            77            78            79            80 
      1  -0.155342D+02  0.743468D+01  0.147060D+01 -0.384048D-01  0.278573D+00
      2   0.939148D+01 -0.193693D+01 -0.118513D+01  0.231786D+01  0.405459D+00
      3   0.614272D+01 -0.549775D+01 -0.285475D+00 -0.227945D+01 -0.684032D+00
      4   0.102445D+02 -0.246022D+01  0.691678D+00  0.725614D+00  0.146788D+01
      5   0.579479D+01 -0.699874D+00 -0.357674D+01  0.120952D+02 -0.735307D+00
      6  -0.262889D+01  0.139507D+01  0.821025D+00  0.432090D+00  0.915647D+00
                81            82            83            84            85 
      1   0.520697D+01  0.127105D+02  0.116425D+02  0.170604D+01 -0.446344D+00
      2  -0.563395D+01 -0.936833D+01 -0.821033D+01  0.132425D+01  0.846093D+01
      3   0.426978D+00 -0.334213D+01 -0.343218D+01 -0.303029D+01 -0.801459D+01
      4  -0.360064D+00  0.734962D+01 -0.179009D+02 -0.308197D+01  0.102708D+02
      5  -0.546709D+01 -0.158313D+01 -0.269519D+01 -0.541632D+01  0.894775D+00
      6  -0.578150D+00 -0.133152D+01  0.364099D+00 -0.433095D+01  0.453584D+01
                86            87            88            89            90 
      1   0.906184D+01  0.399692D+01 -0.183335D+01  0.399762D+01 -0.149092D+02
      2  -0.145428D+02 -0.655495D+01  0.386998D+01 -0.962201D+01  0.519810D+00
      3   0.548101D+01  0.255803D+01 -0.203663D+01  0.562439D+01  0.143894D+02
      4   0.141468D+02  0.162743D+01 -0.297990D+00  0.191167D+01  0.668906D+01
      5   0.181709D+01  0.137683D+01  0.434721D+01  0.566027D+01  0.335844D+01
      6  -0.852288D+01  0.572673D+01 -0.198480D+01  0.140429D+02  0.376202D+01
                91            92            93            94            95 
      1  -0.957135D+00 -0.245432D+02 -0.580955D+01  0.264232D+02  0.476243D+01
      2  -0.152089D+01  0.152537D+02 -0.611657D-01 -0.263962D+02 -0.841813D+01
      3   0.247802D+01  0.928956D+01  0.587071D+01 -0.269443D-01  0.365570D+01
      4  -0.165473D+02  0.281499D+01  0.110270D+01  0.120714D+01 -0.108111D+02
      5  -0.696246D+00  0.208214D+00  0.551019D+01 -0.455030D+01 -0.776306D+01
      6   0.441135D-01  0.150371D+01  0.699818D+01 -0.699499D+01 -0.686037D+01
                96            97            98            99           100 
      1   0.119331D+01  0.573577D+01  0.226344D+01  0.171652D+01 -0.151352D+02
      2  -0.176611D+01 -0.862203D+01 -0.650121D+01 -0.930810D+01  0.853012D+01
      3   0.572797D+00  0.288626D+01  0.423777D+01  0.759157D+01  0.660506D+01
      4  -0.849529D+01 -0.298466D+01 -0.823708D+01  0.131595D+02  0.280415D+01
      5   0.135293D+02  0.196101D+02  0.137711D+02  0.863472D+01  0.268053D+01
      6   0.467747D+01  0.634311D+01  0.119964D+02 -0.749424D-01  0.549340D+00
               101           102           103           104           105 
      1   0.507900D+01  0.316992D+01 -0.924771D+01 -0.210928D+02 -0.739971D+01
      2  -0.340681D+01 -0.822758D+00  0.878212D+01  0.193756D+02  0.965291D+01
      3  -0.167218D+01 -0.234716D+01  0.465589D+00  0.171720D+01 -0.225320D+01
      4   0.225736D+02  0.135775D+00 -0.203388D+02  0.377329D+01  0.329225D+01
      5  -0.995400D-01  0.203134D+02 -0.108615D+02  0.122379D+01 -0.279126D+01
      6   0.274559D+00 -0.269132D+01  0.294927D+01  0.498174D+01 -0.484782D+01
               106           107           108           109           110 
      1   0.101057D+01 -0.711080D+01  0.126499D+02  0.110425D+02  0.216416D+02
      2   0.136477D+01  0.541713D+01 -0.160834D+02 -0.968413D+01 -0.139063D+02
      3  -0.237534D+01  0.169367D+01  0.343353D+01 -0.135835D+01 -0.773530D+01
      4  -0.116735D+02  0.172570D+01 -0.286215D+01  0.167658D+02 -0.680628D+01
      5   0.345681D+02 -0.291883D+01 -0.319906D+01  0.403940D+01 -0.114149D+01
      6  -0.206332D+01  0.659123D+01 -0.410068D+01 -0.382141D+01 -0.779667D-01
               111           112           113           114           115 
      1   0.364325D+01 -0.203375D+02  0.114381D+02  0.330710D+01 -0.415445D+01
      2  -0.323302D+00  0.193001D+02 -0.166789D+02 -0.659737D+01  0.650993D+01
      3  -0.331994D+01  0.103747D+01  0.524077D+01  0.329027D+01 -0.235548D+01
      4  -0.242753D+01  0.116528D+02  0.434056D+01  0.621853D+01 -0.156520D+01
      5  -0.190420D+01 -0.500001D+00  0.665819D+01 -0.122623D+02  0.131084D+02
      6  -0.476821D+01  0.475373D+01 -0.103856D+02  0.737325D+01 -0.533913D+01
               116           117           118           119           120 
      1   0.165448D+01 -0.580846D+01 -0.157849D+01 -0.184568D+02 -0.423387D+01
      2  -0.853487D+01 -0.509471D+01 -0.405025D+00  0.132707D+02 -0.379030D+00
      3   0.688039D+01  0.109032D+02  0.198351D+01  0.518613D+01  0.461290D+01
      4   0.831357D+01 -0.133406D+02 -0.123571D+02 -0.111292D+02 -0.528576D+00
      5  -0.138347D+02 -0.813746D+01 -0.331173D+01 -0.103163D+01 -0.328871D+01
      6   0.149378D+02  0.319683D+01  0.165452D+01  0.408492D+00  0.741956D+01
               121           122           123           124           125 
      1   0.498737D+01  0.310121D+01  0.319881D+01  0.645383D+00  0.414574D+01
      2  -0.142897D+02 -0.621831D+01 -0.318554D+01 -0.596751D+01 -0.633680D+01
      3   0.930232D+01  0.311711D+01 -0.132726D-01  0.532213D+01  0.219106D+01
      4   0.470324D+01 -0.143333D+02 -0.228308D+01  0.217848D+01 -0.149223D+01
      5   0.253382D+01 -0.212593D+01  0.118470D+01  0.215856D+01 -0.189343D+01
      6  -0.660655D+01 -0.515426D+01  0.459276D+01  0.505709D+01  0.107966D+02
               126           127           128           129           130 
      1  -0.144366D+02 -0.527806D+01  0.906448D+01  0.201360D+01  0.771550D+01
      2   0.114405D+01  0.688884D+01 -0.109433D+02 -0.151205D+01 -0.948917D+01
      3   0.132926D+02 -0.161078D+01  0.187883D+01 -0.501559D+00  0.177367D+01
      4  -0.324293D+01 -0.373519D+01  0.736993D+01  0.113655D+01  0.506019D+01
      5   0.403935D+00 -0.810051D+00  0.116021D+01  0.151008D+01  0.896215D+00
      6   0.274056D+00  0.204758D+01 -0.266340D+01 -0.244520D+01 -0.246468D+01
               131           132           133           134           135 
      1  -0.335217D+02 -0.638456D+01  0.171628D+01 -0.647231D+01 -0.277096D+01
      2   0.446916D+02  0.595783D+01 -0.206457D+01  0.775024D+01  0.342969D+01
      3  -0.111700D+02  0.426739D+00  0.348298D+00 -0.127793D+01 -0.658728D+00
      4   0.633761D+00  0.476340D+00  0.104041D+01  0.170215D+00 -0.138241D+01
      5   0.714906D+00 -0.995212D-01  0.465196D+00 -0.545681D+00 -0.495725D+00
      6   0.106703D+02  0.787948D+01 -0.822353D+00  0.406517D+01  0.245289D+01
               136           137           138           139           140 
      1   0.221376D+02  0.139170D+02  0.234930D+01  0.908622D+01  0.363339D+01
      2  -0.415437D+01  0.868054D+00 -0.897448D+00  0.610503D+01  0.163362D+02
      3  -0.179832D+02 -0.147851D+02 -0.145185D+01 -0.151912D+02 -0.199696D+02
      4   0.329620D+02  0.303143D+02  0.400218D+01  0.333200D+02  0.434864D+02
      5   0.616051D+01  0.459325D+01  0.604592D+01  0.632407D+01  0.740950D+01
      6   0.253185D+01  0.212972D+01  0.327094D+01  0.395986D+01  0.563945D+01
               141           142           143           144           145 
      1   0.682094D+00  0.136960D+01  0.193658D+00  0.801452D-01  0.997794D+02
      2   0.703447D+00  0.881541D+00  0.246049D+01  0.117687D+01 -0.558320D+02
      3  -0.138554D+01 -0.225114D+01 -0.265414D+01 -0.125701D+01 -0.439474D+02
      4   0.638178D+01  0.574650D+01  0.716720D+01  0.340390D+01 -0.153266D+02
      5   0.589193D+01  0.256318D+01  0.281892D+01  0.161971D+01 -0.497091D+01
      6   0.591944D+01  0.195895D+01  0.271219D+01  0.184183D+01 -0.197487D+01
               146           147           148           149           150 
      1  -0.925291D+01 -0.412410D+01 -0.799771D+01  0.954475D+01  0.157450D+01
      2   0.449290D+01  0.268810D+01  0.337706D+01 -0.421714D+01 -0.127168D+01
      3   0.476001D+01  0.143600D+01  0.462066D+01 -0.532761D+01 -0.302814D+00
      4   0.984935D+01  0.470198D+00  0.157259D+02 -0.461605D+01 -0.962832D+00
      5   0.258110D+00  0.978362D+01  0.311066D+01 -0.847032D+00 -0.133844D+01
      6  -0.338629D-01 -0.699619D+00 -0.412012D+00 -0.393503D-01  0.143252D+01
               151           152           153           154           155 
      1  -0.430035D+01  0.165002D+01  0.338252D+01  0.519866D+01 -0.441560D+01
      2   0.225324D+01 -0.861617D+00 -0.191537D+01  0.368568D+01 -0.555121D+01
      3   0.204712D+01 -0.788408D+00 -0.146715D+01 -0.888434D+01  0.996681D+01
      4   0.331926D+01 -0.105166D+01 -0.711462D+00 -0.184627D+02  0.232711D+02
      5   0.228250D+01 -0.425826D+00 -0.636935D+00 -0.352158D+01  0.396676D+01
      6  -0.138228D+00  0.411249D+00  0.329153D+00  0.268979D+01 -0.307449D+01
               156           157           158           159           160 
      1  -0.891337D+00  0.113957D+01 -0.162317D+02 -0.309490D+01  0.165024D+00
      2  -0.368167D+00 -0.116889D+02  0.387095D+02  0.499840D+01 -0.192631D+01
      3   0.125950D+01  0.105494D+02 -0.224778D+02 -0.190351D+01  0.176128D+01
      4   0.438619D+01  0.240985D+02 -0.471170D+02 -0.864635D+01  0.508353D+01
      5   0.414154D+01  0.435391D+01 -0.780123D+01 -0.557969D+01  0.196432D+01
      6  -0.268320D+01 -0.440633D+01  0.108674D+02  0.830069D+01 -0.205395D+01
               161           162           163           164           165 
      1  -0.286690D+01 -0.161026D+01 -0.385279D+01 -0.649416D+01 -0.110238D+01
      2   0.665927D+01  0.293980D+01  0.601734D+01  0.917879D+01  0.728653D+00
      3  -0.379237D+01 -0.132955D+01 -0.216455D+01 -0.268462D+01  0.373731D+00
      4  -0.973589D+01 -0.358330D+01  0.904195D+01  0.854270D+01  0.782421D+00
      5  -0.260465D+01 -0.181039D+01  0.125326D+00  0.607176D+00  0.195074D+01
      6   0.411334D+01  0.278602D+01  0.106608D+01  0.161015D+01  0.233763D+01
               166           167           168           169           170 
      1  -0.792446D+01 -0.201774D+02 -0.334411D+01 -0.126036D+01 -0.339684D+01
      2   0.109421D+02  0.271468D+02  0.272593D+01  0.199392D+01  0.414973D+01
      3  -0.301768D+01 -0.696946D+01  0.618179D+00 -0.733565D+00 -0.752891D+00
      4   0.860066D+01  0.854051D+01  0.794435D+00  0.121203D+01  0.114571D+01
      5   0.866629D+00  0.913494D+00  0.160541D+01  0.824248D+00  0.842963D+00
      6   0.227934D+01  0.475843D+01  0.533874D+01  0.769575D+00  0.232166D+01
               171 
      1  -0.761501D+00
      2   0.167836D+01
      3  -0.916856D+00
      4   0.208565D+01
      5   0.518598D+00
      6   0.125531D+01
 Leave Link  716 at Thu Aug 12 21:36:08 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129191D+03  0.950164D+00 -0.170568D+01
      2   0.950164D+00  0.104742D+03  0.557671D+01
      3  -0.170568D+01  0.557671D+01  0.745951D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.373421D+00 -0.849389D+01 -0.276817D+01
      2   0.117525D+02 -0.101260D+02  0.566465D+01
      3   0.224440D+01  0.413255D+02  0.955490D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.936898D+02 -0.440677D+01  0.844079D+01
      2   0.333921D+02  0.109447D+02  0.795351D+01
      3   0.602976D+02 -0.653790D+01 -0.163943D+02
      4   0.155604D+02 -0.827543D+02 -0.256045D+02
      5  -0.193557D+02 -0.261865D+02  0.195150D+02
      6  -0.103955D+02 -0.158956D+02  0.102429D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.515028D+01 -0.108066D+01  0.247680D+01 -0.215849D+01  0.204008D+01
      2  -0.108066D+01  0.679249D+00 -0.368427D+00  0.204008D+01 -0.301600D+01
      3   0.247680D+01 -0.368427D+00  0.267048D+01 -0.103031D+01  0.700739D-01
                 6             7             8             9            10 
      1  -0.103031D+01  0.497462D+01 -0.909629D+00  0.390101D+01 -0.274576D+01
      2   0.700739D-01 -0.909629D+00 -0.134281D+01 -0.301283D+01 -0.106737D+00
      3  -0.314491D+01  0.390101D+01 -0.301283D+01  0.319683D+01 -0.540835D+00
                11            12            13            14            15 
      1  -0.106737D+00 -0.540835D+00 -0.123932D+01 -0.257479D+01  0.182571D+01
      2  -0.669801D+00  0.141262D+01 -0.257479D+01  0.396957D+01  0.316852D+01
      3   0.141262D+01 -0.238772D+01  0.182571D+01  0.316852D+01  0.639052D-01
                16            17            18            19            20 
      1  -0.258348D+01  0.183746D+01 -0.492417D+01 -0.556392D+00  0.484288D+00
      2   0.183746D+01  0.379064D+01  0.162169D+01  0.484288D+00 -0.392669D+00
      3  -0.492417D+01  0.162169D+01 -0.155166D+01  0.117614D+00 -0.384330D+00
                21            22            23            24            25 
      1   0.117614D+00  0.175369D+01 -0.157769D+00  0.210302D+00  0.126637D+01
      2  -0.384330D+00 -0.157769D+00  0.207715D+01  0.169665D+01 -0.185344D+00
      3  -0.115192D+01  0.210302D+00  0.169665D+01  0.279772D+01  0.178458D+00
                26            27            28            29            30 
      1  -0.185344D+00  0.178458D+00  0.294055D+00 -0.129618D+01 -0.741053D+00
      2   0.170560D+01  0.122843D+01 -0.129618D+01  0.124327D+01  0.225457D+00
      3   0.122843D+01  0.377604D+01 -0.741053D+00  0.225457D+00  0.712641D+00
                31            32            33            34            35 
      1  -0.243752D+01  0.196557D+01  0.381970D+00 -0.104094D+01  0.421397D+00
      2   0.196557D+01 -0.621783D+01 -0.182600D+01  0.421397D+00 -0.222595D+01
      3   0.381970D+00 -0.182600D+01 -0.170250D+01  0.108463D+01 -0.171453D+01
                36            37            38            39            40 
      1   0.108463D+01 -0.856472D+01  0.220738D+01  0.458592D-01  0.494353D+01
      2  -0.171453D+01  0.220738D+01  0.123685D+01 -0.119753D+01  0.148332D+01
      3  -0.151467D+01  0.458592D-01 -0.119753D+01  0.319919D+01 -0.163221D+01
                41            42            43            44            45 
      1   0.148332D+01 -0.163221D+01 -0.145830D+01 -0.153011D+01  0.276911D+01
      2  -0.340578D+01 -0.306321D+01 -0.153011D+01 -0.300123D+01 -0.605654D+00
      3  -0.306321D+01  0.125770D-03  0.276911D+01 -0.605654D+00  0.477188D+01
                46            47            48            49            50 
      1   0.154829D+02 -0.167341D+01  0.614581D+00 -0.282240D+01 -0.130918D+01
      2  -0.167341D+01  0.255190D+01  0.329747D-01 -0.130918D+01 -0.678680D+00
      3   0.614581D+00  0.329747D-01  0.228626D+01 -0.146927D+01 -0.418439D+00
                51            52            53            54            55 
      1  -0.146927D+01 -0.131741D+01 -0.946239D+00  0.350746D+01  0.609174D+00
      2  -0.418439D+00 -0.946239D+00 -0.285734D+00 -0.448106D+00  0.638662D+00
      3  -0.110664D+00  0.350746D+01 -0.448106D+00 -0.362559D+00  0.524158D+00
                56            57            58            59            60 
      1   0.638662D+00  0.524158D+00  0.177452D+01  0.878152D+00 -0.616442D-01
      2   0.599321D-03  0.224847D+00  0.878152D+00  0.636046D+01  0.109005D+01
      3   0.224847D+00 -0.428766D+00 -0.616442D-01  0.109005D+01  0.167544D+01
                61            62            63            64            65 
      1   0.129296D+01  0.519595D+00 -0.222378D+00 -0.238818D-01 -0.130662D+00
      2   0.519595D+00  0.202506D+01  0.128778D+01 -0.130662D+00 -0.517337D+00
      3  -0.222378D+00  0.128778D+01  0.683029D+00 -0.101783D+01  0.381710D+00
                66            67            68            69            70 
      1  -0.101783D+01 -0.476286D+00 -0.115298D+00  0.155428D+00 -0.167878D+01
      2   0.381710D+00 -0.115298D+00  0.737051D+00 -0.947428D+00 -0.130478D+00
      3  -0.196992D+01  0.155428D+00 -0.947428D+00  0.545006D+00 -0.180387D-01
                71            72            73            74            75 
      1  -0.130478D+00 -0.180387D-01  0.133048D+02 -0.537906D+00 -0.150119D+01
      2  -0.116363D+01  0.121367D+01 -0.537906D+00  0.109312D+01 -0.935630D-02
      3   0.121367D+01 -0.880242D+01 -0.150119D+01 -0.935630D-02  0.122605D+01
                76            77            78            79            80 
      1  -0.256137D+01  0.114736D+01  0.519278D+00 -0.109968D+00  0.172893D+00
      2   0.114736D+01 -0.325606D+00  0.187462D+00  0.172893D+00  0.364991D+00
      3   0.519278D+00  0.187462D+00 -0.512382D+00  0.119050D+01 -0.293391D-01
                81            82            83            84            85 
      1   0.119050D+01 -0.440724D+01  0.256478D+01  0.226577D+00 -0.581819D+01
      2  -0.293391D-01  0.256478D+01  0.255781D+01  0.173228D+00  0.212390D+00
      3  -0.785259D+00  0.226577D+00  0.173228D+00  0.143694D+01 -0.204961D+00
                86            87            88            89            90 
      1   0.212390D+00 -0.204961D+00 -0.112094D+01 -0.572502D+00  0.103987D+01
      2  -0.157781D+01  0.803164D+00 -0.572502D+00  0.108778D+01 -0.349804D+01
      3   0.803164D+00 -0.201662D+01  0.103987D+01 -0.349804D+01 -0.231746D+01
                91            92            93            94            95 
      1   0.165717D+01 -0.558394D+00  0.454957D-01 -0.533699D+01  0.776613D+00
      2  -0.558394D+00 -0.314773D+01 -0.643605D+00  0.776613D+00 -0.582793D+00
      3   0.454957D-01 -0.643605D+00 -0.197313D+01  0.601778D+00  0.120297D+01
                96            97            98            99           100 
      1   0.601778D+00 -0.105789D+01  0.667985D+00 -0.297372D+01 -0.512719D+01
      2   0.120297D+01  0.667985D+00  0.152310D+01 -0.314781D+01  0.909962D-01
      3  -0.207803D+01 -0.297372D+01 -0.314781D+01 -0.147241D+01 -0.248805D+00
               101           102           103           104           105 
      1   0.909962D-01 -0.248805D+00  0.729027D+00  0.529830D+00  0.140725D+01
      2  -0.338562D+01  0.890388D-02  0.529830D+00 -0.212038D+00 -0.530241D+00
      3   0.890388D-02 -0.338880D+01  0.140725D+01 -0.530241D+00  0.252438D+00
               106           107           108           109           110 
      1   0.122012D-01  0.118752D+01 -0.518354D+01  0.362982D+01 -0.596692D+00
      2   0.118752D+01 -0.145649D+00  0.449349D+00 -0.596692D+00 -0.203253D+01
      3  -0.518354D+01  0.449349D+00  0.645096D+00 -0.236688D+00  0.109837D+00
               111           112           113           114           115 
      1  -0.236688D+00  0.503517D+01 -0.195344D+00  0.294151D+00  0.105149D+01
      2   0.109837D+00 -0.195344D+00  0.133355D+01 -0.102236D+01  0.533451D+00
      3  -0.102471D+01  0.294151D+00 -0.102236D+01  0.243303D+01 -0.178117D+01
               116           117           118           119           120 
      1   0.533451D+00 -0.178117D+01 -0.353707D+01 -0.682715D+00 -0.448892D-01
      2  -0.125421D+01  0.371848D+01 -0.682715D+00  0.338090D+01  0.434840D+00
      3   0.371848D+01  0.242444D+01 -0.448892D-01  0.434840D+00  0.208653D+01
               121           122           123           124           125 
      1   0.760518D+01  0.128001D+00  0.494976D-01  0.168750D+01 -0.614008D-01
      2   0.128001D+00  0.124371D+01 -0.537619D+00 -0.614008D-01 -0.118146D+01
      3   0.494976D-01 -0.537619D+00  0.164569D+01  0.193709D+01  0.297785D+01
               126           127           128           129           130 
      1   0.193709D+01  0.159331D+01 -0.184690D+01 -0.397826D+00 -0.149787D+01
      2   0.297785D+01 -0.184690D+01  0.225401D+01  0.443360D+00  0.207165D+01
      3   0.134529D+01 -0.397826D+00  0.443360D+00  0.329047D+00  0.436148D+00
               131           132           133           134           135 
      1   0.207165D+01  0.436148D+00 -0.412322D+00  0.534121D+00  0.430035D-01
      2  -0.869684D+01 -0.152540D+01  0.534121D+00 -0.168251D+01 -0.456457D+00
      3  -0.152540D+01 -0.110570D+01  0.430035D-01 -0.456457D+00 -0.226728D+00
               136           137           138           139           140 
      1  -0.498945D+01 -0.387438D+01 -0.633091D+00 -0.368779D+01 -0.442830D+01
      2  -0.387438D+01 -0.359097D+01 -0.466631D+00 -0.442830D+01 -0.657596D+01
      3  -0.633091D+00 -0.466631D+00 -0.638062D+00 -0.775666D+00 -0.100439D+01
               141           142           143           144           145 
      1  -0.775666D+00 -0.630392D+00 -0.768360D+00 -0.208878D+00 -0.131602D+02
      2  -0.100439D+01 -0.768360D+00 -0.125706D+01 -0.279429D+00  0.134291D+01
      3  -0.891109D+00 -0.208878D+00 -0.279429D+00 -0.196791D+00  0.621226D+00
               146           147           148           149           150 
      1   0.134291D+01  0.621226D+00  0.128834D+01 -0.164450D+01 -0.379625D+00
      2  -0.890799D+00 -0.449578D-01 -0.164450D+01  0.466034D+00  0.995594D-01
      3  -0.449578D-01 -0.894380D+00 -0.379625D+00  0.995594D-01  0.144748D+00
               151           152           153           154           155 
      1   0.521989D+00 -0.387594D+00 -0.396932D-01 -0.226024D+01  0.260689D+01
      2  -0.387594D+00  0.842471D-01  0.298424D-01  0.260689D+01 -0.281951D+01
      3  -0.396932D-01  0.298424D-01  0.326942D-01  0.568838D+00 -0.560401D+00
               156           157           158           159           160 
      1   0.568838D+00  0.222953D+01 -0.373148D+01 -0.775792D+00  0.522628D+00
      2  -0.560401D+00 -0.373148D+01  0.936781D+01  0.177149D+01 -0.824834D+00
      3  -0.464900D+00 -0.775792D+00  0.177149D+01  0.116415D+01 -0.225315D+00
               161           162           163           164           165 
      1  -0.824834D+00 -0.225315D+00  0.365059D+01  0.244872D+01  0.121065D+00
      2   0.193390D+01  0.422659D+00  0.244872D+01  0.244925D+01  0.227456D+00
      3   0.422659D+00  0.252546D+00  0.121065D+00  0.227456D+00  0.375181D+00
               166           167           168           169           170 
      1   0.267726D+01  0.292371D+01  0.447956D+00  0.806636D-01  0.442066D+00
      2   0.292371D+01  0.573400D+01  0.785141D+00  0.442066D+00  0.102494D+01
      3   0.447956D+00  0.785141D+00  0.839641D+00 -0.742391D-01  0.242430D+00
               171 
      1  -0.742391D-01
      2   0.242430D+00
      3   0.102118D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.465444D+00  0.384038D+01  0.165081D+01  0.770482D+00 -0.536805D+01
      2   0.162865D+01  0.822538D+00  0.122854D+02  0.249979D+01 -0.232079D+01
      3  -0.879300D+00 -0.808865D+01 -0.169429D+01 -0.365367D+01  0.644925D+01
                 6             7             8             9            10 
      1  -0.750033D+01  0.252971D+01  0.708344D+00  0.167505D+00  0.212484D+00
      2  -0.763483D+01  0.542170D+01 -0.757772D+01  0.555660D+01 -0.129976D+00
      3   0.183282D+01 -0.329933D+01  0.253999D+01  0.537432D+01  0.439317D+01
                11            12            13            14            15 
      1   0.477736D+00  0.722835D-01  0.112348D+01  0.836531D+00 -0.343842D+01
      2   0.815413D+00 -0.375990D+01  0.124320D+01  0.592265D+01  0.106424D+01
      3   0.345614D+01 -0.478682D+00  0.129482D+02 -0.771323D+01 -0.830610D+01
                16            17            18            19            20 
      1  -0.169494D+01  0.762123D+00 -0.140775D+01  0.202204D+01 -0.198399D+01
      2  -0.146957D+02  0.459443D+01 -0.472825D+01  0.381841D+01 -0.199732D+01
      3  -0.284241D+00 -0.986356D+01 -0.149219D+01 -0.249239D+01  0.225542D+01
                21            22            23            24            25 
      1  -0.916805D+00 -0.147484D+01  0.564319D+01  0.350719D+01 -0.413497D+00
      2  -0.303139D+01 -0.283873D+01  0.492046D+01  0.704555D+01 -0.170092D+01
      3   0.106590D+01  0.340496D+01 -0.476909D+01 -0.455755D+01  0.187911D+00
                26            27            28            29            30 
      1   0.425067D+01  0.427902D+01  0.152961D-01 -0.595558D+00  0.589534D+00
      2   0.350151D+01  0.828802D+01 -0.170910D+01  0.295517D+00  0.197872D+01
      3  -0.313743D+01 -0.380884D+01  0.340451D+01 -0.300691D+01 -0.142071D+00
                31            32            33            34            35 
      1  -0.121147D+00  0.157051D+01 -0.268499D+01  0.693387D+00  0.101689D+01
      2  -0.434940D+00 -0.333571D+01 -0.366354D+01  0.156806D+00 -0.311009D+01
      3   0.121528D+01  0.125071D+02  0.381466D+01  0.759098D+00  0.501932D+01
                36            37            38            39            40 
      1  -0.851586D+00 -0.272726D+01 -0.179480D+01 -0.136587D+01  0.115054D+00
      2  -0.246535D+01 -0.743325D+01 -0.710412D+00  0.115363D+02 -0.154048D+00
      3   0.310092D+01 -0.148029D+02 -0.658176D+01  0.387156D+01 -0.194403D+00
                41            42            43            44            45 
      1   0.602043D+01  0.173413D+01  0.744038D+00  0.657300D+01 -0.476924D+01
      2  -0.690964D+01 -0.229174D+01  0.282309D+01 -0.366076D+01  0.171556D+02
      3   0.128234D+02  0.870375D+01  0.351068D+01  0.888947D+01  0.339605D+01
                46            47            48            49            50 
      1   0.638120D+00  0.312929D+00  0.463011D+00  0.106568D+01 -0.212853D+01
      2   0.183690D+01 -0.133039D+01 -0.582550D+00 -0.723596D+00 -0.981033D+00
      3  -0.142592D+01  0.396507D+01  0.699513D+00  0.144690D+02 -0.101909D+01
                51            52            53            54            55 
      1   0.182666D+01  0.840791D+00  0.100331D+02  0.206133D+01 -0.153699D+01
      2   0.119977D+00 -0.151504D+02 -0.353686D+00 -0.639229D+00  0.180994D+01
      3   0.182017D+01 -0.128167D+00  0.661600D+00 -0.581728D+00 -0.348856D+01
                56            57            58            59            60 
      1  -0.726413D-02  0.434007D+00 -0.383719D-01 -0.804970D+01 -0.539502D+01
      2   0.856089D+00 -0.433513D+00  0.529047D+00  0.392398D+01  0.453241D+01
      3   0.907798D+00  0.450413D+00  0.293370D+01 -0.186826D+02 -0.441988D+01
                61            62            63            64            65 
      1  -0.177772D-01 -0.210122D+01 -0.266332D+01  0.921604D+00  0.124341D+01
      2  -0.124888D+01  0.348429D+01  0.182114D+01 -0.434248D+01  0.492656D+00
      3   0.139424D+01 -0.639431D+01 -0.444894D+01  0.564584D-02  0.901489D+00
                66            67            68            69            70 
      1   0.122579D+01  0.567372D+00 -0.311631D+00 -0.477512D+00  0.627622D+00
      2  -0.552630D+01 -0.141209D+00 -0.236544D+01  0.170181D+01 -0.493985D+01
      3  -0.155414D+01  0.154752D+01 -0.200226D+01  0.227318D+01 -0.145719D+01
                71            72            73            74            75 
      1   0.283813D+01  0.527554D+01  0.156970D+01 -0.165487D+01 -0.629017D+00
      2   0.292782D+01 -0.227473D+02  0.814859D+01 -0.627628D+00  0.501694D+01
      3   0.265586D+01 -0.389097D+01  0.991508D+01 -0.700966D+01 -0.880698D+00
                76            77            78            79            80 
      1  -0.136404D+01  0.166282D+00 -0.800677D+00 -0.776484D+00  0.232087D+00
      2  -0.709648D+00  0.164123D+01 -0.134819D+01  0.163061D+01 -0.176509D-01
      3  -0.361673D+01  0.137954D+01 -0.808177D+00 -0.917768D+00 -0.890338D+00
                81            82            83            84            85 
      1   0.287227D+00 -0.704287D+00 -0.990573D+00  0.194909D+01 -0.119145D+01
      2  -0.134814D+01 -0.267196D+01  0.161743D+01 -0.153020D+01  0.124773D+01
      3   0.635733D+00  0.530155D+01 -0.472808D+01 -0.170757D+01  0.463819D+01
                86            87            88            89            90 
      1   0.381936D+00 -0.311583D+01  0.395290D+01  0.100401D+01 -0.779229D+00
      2   0.857265D+00  0.184962D+01 -0.123486D+02  0.161985D+01  0.218242D+01
      3  -0.518964D+01 -0.462552D+00 -0.137597D+01  0.368521D+00 -0.476888D+01
                91            92            93            94            95 
      1  -0.143645D+00  0.390385D+00 -0.277372D+01  0.118562D+01  0.438969D-01
      2   0.918544D+00  0.143078D+01  0.264216D+01 -0.109996D+01 -0.293670D+01
      3  -0.285442D+01 -0.950484D+01 -0.153681D+01  0.659166D+01 -0.156502D+01
                96            97            98            99           100 
      1  -0.232829D+01 -0.618524D+01  0.392909D+01  0.861523D+00  0.144267D+00
      2   0.651416D+01 -0.345953D+01  0.904557D+01  0.399940D+01 -0.554658D+00
      3   0.209857D+01  0.775861D+00  0.277223D+01 -0.391196D+01  0.209224D+01
               101           102           103           104           105 
      1   0.108074D+00  0.124417D+01 -0.710236D-01 -0.310726D+01  0.274212D+01
      2  -0.554488D+00  0.886199D+01 -0.409506D+01 -0.130478D+00 -0.158571D+01
      3  -0.726331D+01  0.341781D+00  0.109714D+02  0.188874D+01 -0.485066D+00
               106           107           108           109           110 
      1   0.209320D+01  0.105224D+02  0.265933D+01  0.658590D+00 -0.321112D+00
      2   0.697075D+01 -0.202330D+01 -0.175179D+01  0.148061D+01  0.265118D+01
      3   0.359158D+01 -0.414516D+00  0.629655D+00 -0.271443D+01 -0.126881D+02
               111           112           113           114           115 
      1   0.211606D+01 -0.904540D+00  0.556057D+00 -0.390755D+01  0.457392D+01
      2   0.484141D+00  0.107451D+01  0.303267D+01 -0.578858D+01 -0.791676D+01
      3  -0.238146D+01  0.455652D+01  0.913143D+00 -0.209452D+01 -0.323823D-02
               116           117           118           119           120 
      1   0.105841D+01 -0.114882D+01 -0.139639D+01 -0.346604D-01 -0.359786D+01
      2  -0.860239D+01 -0.398569D+01 -0.158052D+01  0.529714D+00 -0.206039D+01
      3  -0.247122D+01  0.452590D+01 -0.559277D+00 -0.256114D+00  0.554186D+00
               121           122           123           124           125 
      1   0.722544D+00 -0.544045D+00 -0.212358D+01 -0.650718D+01  0.312178D+01
      2   0.302039D+01 -0.637056D+00 -0.964348D+00 -0.121202D+02 -0.306234D+00
      3   0.245107D+01  0.467543D+01 -0.378193D+00 -0.139958D+01  0.661620D-01
               126           127           128           129           130 
      1  -0.837973D-01  0.267840D-01 -0.189881D+00  0.155776D+01  0.327225D-01
      2  -0.426275D+00  0.131978D+01 -0.976765D+00  0.192133D+00 -0.120302D+01
      3   0.527068D+01 -0.616621D+01  0.393779D+01  0.101961D+01  0.684566D+01
               131           132           133           134           135 
      1   0.716558D+00 -0.410488D+01 -0.407992D+00  0.221109D+01 -0.277681D+00
      2   0.190559D+01 -0.298236D+00 -0.186165D+01  0.541115D+00 -0.683756D-01
      3  -0.870290D+01 -0.193767D+01  0.136684D+01 -0.172228D+01 -0.349836D+00
               136           137           138           139           140 
      1   0.234304D+00  0.621954D+00 -0.224851D+01 -0.132690D+00  0.367514D+00
      2  -0.705502D-01  0.177589D-01  0.282342D+01  0.765259D+00  0.141437D+01
      3  -0.153579D+01 -0.487570D+01 -0.255477D+00 -0.345533D+01 -0.109447D+02
               141           142           143           144           145 
      1  -0.326058D+01  0.829037D+00  0.164068D+01 -0.346581D+00 -0.121393D+00
      2   0.342268D+01 -0.926438D+00 -0.289819D+00  0.458111D+00 -0.956275D+00
      3  -0.134277D+01 -0.873543D+00 -0.224011D+01 -0.346336D+00  0.560989D+00
               146           147           148           149           150 
      1  -0.207962D+00  0.636600D+00  0.746488D-01 -0.441736D-01 -0.406839D+00
      2  -0.326601D-01  0.604812D+01  0.151560D+01 -0.297580D+00 -0.913892D+00
      3  -0.532393D+01  0.115319D+00 -0.354476D+01  0.143138D+01  0.251826D+00
               151           152           153           154           155 
      1  -0.404445D+00  0.636174D+00  0.365118D-01 -0.175691D+00 -0.768032D-01
      2  -0.282289D+01  0.131541D+00 -0.153537D+00 -0.280142D+00  0.435128D+00
      3  -0.150605D+01  0.513968D+00  0.264348D-01  0.681779D+00 -0.242620D+01
               156           157           158           159           160 
      1   0.167816D+01  0.272746D+00  0.261504D+00 -0.436676D+01 -0.539974D+00
      2   0.151472D+01  0.486439D+00 -0.249369D+01 -0.310379D+01 -0.565106D+00
      3  -0.284013D+00 -0.124735D+01  0.136467D+02  0.228093D+01 -0.394528D+00
               161           162           163           164           165 
      1   0.202815D+01 -0.497371D+00  0.827904D+00  0.862606D+00 -0.208549D+01
      2   0.876402D-02 -0.536514D+00 -0.208797D+01 -0.949305D+00  0.836826D+00
      3   0.280870D+01  0.558433D+00  0.100948D+02  0.396762D+01  0.115086D-01
               166           167           168           169           170 
      1   0.223237D+00  0.203732D+00 -0.319540D+01  0.532314D+00  0.189697D+01
      2  -0.981735D+00 -0.121009D+01  0.134241D+01 -0.184639D+01 -0.381402D+00
      3   0.773956D+01  0.534205D+01  0.861635D+00  0.533986D-01  0.837938D+00
               171 
      1  -0.172077D-01
      2   0.244054D+00
      3   0.815593D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.203269D+02 -0.333195D+01  0.281164D+01 -0.312201D+01  0.458503D+01
      2  -0.141986D+02 -0.102977D+00 -0.758009D+01  0.380483D+00  0.398052D+01
      3  -0.612828D+01  0.343492D+01  0.476845D+01  0.274153D+01 -0.856555D+01
      4  -0.575047D+01  0.138503D+02 -0.257253D+01  0.162469D+02 -0.153777D+02
      5   0.163161D+02 -0.324522D+01  0.224248D+02 -0.733151D+01  0.310575D+01
      6  -0.490984D+01  0.508410D+01 -0.122790D+01  0.516119D+01 -0.100438D+02
                 6             7             8             9            10 
      1   0.762202D+01  0.252334D+01  0.495488D+01  0.299863D-01  0.725018D+01
      2   0.374855D+01 -0.121119D+02  0.338839D+01 -0.120012D+02 -0.355227D+01
      3  -0.113706D+02  0.958857D+01 -0.834327D+01  0.119712D+02 -0.369791D+01
      4   0.997883D+00 -0.531662D+01 -0.251679D+01 -0.142726D+02 -0.355488D+01
      5  -0.126602D+02  0.293848D+02 -0.121110D+02  0.225699D+02 -0.467830D+01
      6   0.366934D+01 -0.442172D+01  0.693459D+01 -0.124644D+02  0.366470D+01
                11            12            13            14            15 
      1  -0.322604D+01  0.595391D+00 -0.114634D+02  0.383143D+00  0.551651D+01
      2   0.164981D+01  0.116410D+01  0.875587D+01 -0.590836D+01 -0.982642D+01
      3   0.157623D+01 -0.175949D+01  0.270757D+01  0.552522D+01  0.430992D+01
      4  -0.136647D+02  0.588446D+01 -0.151477D+02  0.184144D+02  0.157892D+02
      5   0.636089D+01 -0.176600D+02  0.127902D+02  0.151223D+02 -0.449712D+00
      6   0.251742D+01  0.603735D-01  0.605621D+01 -0.563619D+01 -0.605854D+01
                16            17            18            19            20 
      1   0.586190D+00  0.545579D+01 -0.589555D+01 -0.162062D+01  0.219605D+01
      2   0.690818D+01 -0.569356D+01  0.702505D+01  0.319383D+00  0.177148D+00
      3  -0.749437D+01  0.237775D+00 -0.112951D+01  0.130124D+01 -0.237319D+01
      4   0.116962D+02  0.173446D+02  0.646954D+01  0.193415D+01 -0.320546D+01
      5  -0.324505D+02  0.562637D+01 -0.844183D+01  0.620583D+00 -0.363679D+00
      6   0.317455D+01 -0.105070D+02  0.453858D+01  0.179585D+01 -0.195539D+01
                21            22            23            24            25 
      1   0.526103D+01  0.447996D+01 -0.610921D+01 -0.570435D+01  0.422396D+01
      2   0.795825D+00 -0.233616D+01 -0.266389D+00 -0.351764D+01 -0.192979D+01
      3  -0.605686D+01 -0.214380D+01  0.637560D+01  0.922199D+01 -0.229418D+01
      4  -0.160246D+01 -0.495724D+00  0.876187D+01  0.719904D+01 -0.113128D+01
      5  -0.282838D+01  0.301690D+01  0.530616D+01  0.998530D+01  0.375982D+01
      6  -0.968841D+00 -0.936068D+00  0.681705D+01  0.726887D+01 -0.840870D+00
                26            27            28            29            30 
      1  -0.367765D+01 -0.848123D+01  0.241122D+01 -0.328686D+01 -0.186179D+01
      2  -0.255800D+01 -0.576459D+01  0.181712D+01  0.297824D+00  0.498715D+00
      3   0.623565D+01  0.142458D+02 -0.422834D+01  0.298903D+01  0.136308D+01
      4   0.597898D+01  0.543380D+01 -0.804502D+01  0.112326D+02  0.239759D+01
      5   0.404619D+01  0.114060D+02 -0.382653D+01  0.225668D+01  0.562544D+01
      6   0.564503D+01  0.438077D+01  0.306707D+01 -0.202183D+01 -0.801789D+00
                31            32            33            34            35 
      1  -0.217404D+01 -0.995329D+01 -0.312638D+01 -0.165398D+01 -0.396856D+01
      2  -0.213722D+01  0.192477D+02  0.499020D+01  0.159009D+00  0.350682D+01
      3   0.431126D+01 -0.929437D+01 -0.186382D+01  0.149498D+01  0.461741D+00
      4   0.130675D+02 -0.280576D+02 -0.838766D+01  0.321182D+01 -0.102829D+02
      5   0.290898D+01 -0.749410D+01 -0.726739D+01  0.681771D+01 -0.677649D+01
      6  -0.320851D+01  0.109796D+02  0.777848D+01 -0.261719D+01  0.917930D+01
                36            37            38            39            40 
      1  -0.344990D+01 -0.554100D+02  0.764028D+01  0.107839D+02  0.191678D+02
      2   0.138097D+01  0.323719D+02 -0.300614D+01  0.140628D+01 -0.118452D+02
      3   0.206892D+01  0.230381D+02 -0.463414D+01 -0.121902D+02 -0.732260D+01
      4  -0.761314D+01  0.970774D+01  0.106056D+02 -0.506283D+01  0.110382D+02
      5  -0.614689D+01  0.115617D+02 -0.767154D+01  0.154347D+02 -0.139428D+02
      6   0.649259D+01 -0.573209D+01 -0.412372D+01  0.618387D+01 -0.527517D+01
                41            42            43            44            45 
      1   0.821622D+01 -0.441383D+01  0.665808D+00 -0.289370D+01  0.260772D+02
      2  -0.161354D+02 -0.291918D+01  0.217905D+01 -0.641921D+01  0.800140D+00
      3   0.791922D+01  0.733301D+01 -0.284486D+01  0.931291D+01 -0.268774D+02
      4  -0.164335D+02 -0.172690D+02 -0.894052D+01 -0.168113D+02  0.185159D+01
      5  -0.183286D+02  0.155784D+01  0.150512D+02 -0.989156D+00  0.142285D+02
      6  -0.241619D+01  0.498119D+01  0.460976D+01  0.360136D+01  0.424029D+01
                46            47            48            49            50 
      1  -0.189886D+02  0.385045D+01  0.182299D+01  0.327212D+00 -0.928027D+01
      2   0.577250D+01 -0.278076D+01 -0.816100D+00  0.395976D+01  0.156437D+02
      3   0.132161D+02 -0.106969D+01 -0.100689D+01 -0.428697D+01 -0.636344D+01
      4  -0.974707D+00  0.498887D+01 -0.413075D+00 -0.106684D+02  0.200234D+01
      5   0.660896D+01 -0.565060D+00  0.316812D+01 -0.611694D+01 -0.133860D+01
      6  -0.266559D+01  0.136955D-01 -0.249923D+01  0.180619D+01  0.465282D+01
                51            52            53            54            55 
      1  -0.939151D+00  0.237456D+00 -0.154518D+01 -0.779902D+01  0.545349D+01
      2   0.686903D+01  0.307083D+01  0.319273D+01 -0.298805D+01 -0.764441D-01
      3  -0.592988D+01 -0.330829D+01 -0.164755D+01  0.107871D+02 -0.537705D+01
      4  -0.159277D+01 -0.419490D+01 -0.136030D+01 -0.282913D+00  0.336524D+01
      5   0.873129D-01  0.563622D+01 -0.354217D+00  0.717300D-01  0.103322D+01
      6  -0.252347D+01 -0.865709D+00  0.567704D+01 -0.257859D+01  0.972996D+00
                56            57            58            59            60 
      1   0.356892D+01  0.177604D+00  0.583304D+01 -0.100540D+02 -0.842888D+00
      2  -0.135018D+01 -0.822382D+00 -0.965069D+00  0.266144D+02  0.599535D+01
      3  -0.221874D+01  0.644777D+00 -0.486797D+01 -0.165604D+02 -0.515246D+01
      4   0.310172D+01  0.192076D+01  0.984390D+01  0.330045D+02  0.590366D+01
      5   0.782646D+00 -0.129068D+01 -0.117722D+01  0.674906D+01  0.860982D+01
      6   0.392278D+00 -0.113135D+01 -0.890257D+00 -0.376585D+01  0.438965D+01
                61            62            63            64            65 
      1   0.419085D+01 -0.334174D+00 -0.497380D+01 -0.787513D+00  0.732479D+00
      2  -0.194471D+01  0.600131D+01  0.366109D+01 -0.322948D+01 -0.426332D+00
      3  -0.224614D+01 -0.566714D+01  0.131270D+01  0.401699D+01 -0.306147D+00
      4   0.489074D+01  0.111395D+02  0.585010D+01 -0.171914D+01 -0.157863D+01
      5  -0.219417D+00  0.638640D+01  0.449214D+01 -0.182846D+01  0.106171D+01
      6  -0.139543D+00  0.376944D+01  0.258582D+01 -0.874963D+00  0.245988D+01
                66            67            68            69            70 
      1  -0.112054D+02 -0.154576D+01 -0.556858D+01  0.297023D+01 -0.869221D+01
      2  -0.409994D+00  0.959560D+00  0.223255D+01 -0.138202D+01  0.419564D+01
      3   0.116154D+02  0.586201D+00  0.333602D+01 -0.158821D+01  0.449657D+01
      4  -0.538317D+00  0.761024D+00  0.305237D+01 -0.344093D+01 -0.299993D+01
      5  -0.221326D+01  0.989287D+00 -0.262188D+01  0.219680D+01  0.722391D+01
      6  -0.288323D+01  0.616163D+00 -0.236071D+01  0.787526D+01 -0.108137D+00
                71            72            73            74            75 
      1   0.395410D+01 -0.279768D+02  0.895524D+02 -0.505838D+01 -0.738050D+01
      2  -0.122097D+00 -0.146964D+02 -0.495085D+02  0.386208D+01  0.652368D+01
      3  -0.383200D+01  0.426732D+02 -0.400438D+02  0.119630D+01  0.856825D+00
      4  -0.487683D+01  0.270832D+01  0.349270D+01  0.105122D+02 -0.414835D+00
      5   0.498729D+01 -0.346739D+02 -0.256250D+02  0.113441D+01  0.132881D+02
      6   0.753822D+01 -0.127627D+02  0.122639D+01 -0.280744D+01  0.860297D+00
                76            77            78            79            80 
      1  -0.155342D+02  0.743468D+01  0.147060D+01 -0.384048D-01  0.278573D+00
      2   0.939148D+01 -0.193693D+01 -0.118513D+01  0.231786D+01  0.405459D+00
      3   0.614272D+01 -0.549775D+01 -0.285475D+00 -0.227945D+01 -0.684032D+00
      4   0.102445D+02 -0.246022D+01  0.691678D+00  0.725614D+00  0.146788D+01
      5   0.579479D+01 -0.699874D+00 -0.357674D+01  0.120952D+02 -0.735307D+00
      6  -0.262889D+01  0.139507D+01  0.821025D+00  0.432090D+00  0.915647D+00
                81            82            83            84            85 
      1   0.520697D+01  0.127105D+02  0.116425D+02  0.170604D+01 -0.446344D+00
      2  -0.563395D+01 -0.936833D+01 -0.821033D+01  0.132425D+01  0.846093D+01
      3   0.426978D+00 -0.334213D+01 -0.343218D+01 -0.303029D+01 -0.801459D+01
      4  -0.360064D+00  0.734962D+01 -0.179009D+02 -0.308197D+01  0.102708D+02
      5  -0.546709D+01 -0.158313D+01 -0.269519D+01 -0.541632D+01  0.894775D+00
      6  -0.578150D+00 -0.133152D+01  0.364099D+00 -0.433095D+01  0.453584D+01
                86            87            88            89            90 
      1   0.906184D+01  0.399692D+01 -0.183335D+01  0.399762D+01 -0.149092D+02
      2  -0.145428D+02 -0.655495D+01  0.386998D+01 -0.962201D+01  0.519810D+00
      3   0.548101D+01  0.255803D+01 -0.203663D+01  0.562439D+01  0.143894D+02
      4   0.141468D+02  0.162743D+01 -0.297990D+00  0.191167D+01  0.668906D+01
      5   0.181709D+01  0.137683D+01  0.434721D+01  0.566027D+01  0.335844D+01
      6  -0.852288D+01  0.572673D+01 -0.198480D+01  0.140429D+02  0.376202D+01
                91            92            93            94            95 
      1  -0.957135D+00 -0.245432D+02 -0.580955D+01  0.264232D+02  0.476243D+01
      2  -0.152089D+01  0.152537D+02 -0.611657D-01 -0.263962D+02 -0.841813D+01
      3   0.247802D+01  0.928956D+01  0.587071D+01 -0.269443D-01  0.365570D+01
      4  -0.165473D+02  0.281499D+01  0.110270D+01  0.120714D+01 -0.108111D+02
      5  -0.696246D+00  0.208214D+00  0.551019D+01 -0.455030D+01 -0.776306D+01
      6   0.441135D-01  0.150371D+01  0.699818D+01 -0.699499D+01 -0.686037D+01
                96            97            98            99           100 
      1   0.119331D+01  0.573577D+01  0.226344D+01  0.171652D+01 -0.151352D+02
      2  -0.176611D+01 -0.862203D+01 -0.650121D+01 -0.930810D+01  0.853012D+01
      3   0.572797D+00  0.288626D+01  0.423777D+01  0.759157D+01  0.660506D+01
      4  -0.849529D+01 -0.298466D+01 -0.823708D+01  0.131595D+02  0.280415D+01
      5   0.135293D+02  0.196101D+02  0.137711D+02  0.863472D+01  0.268053D+01
      6   0.467747D+01  0.634311D+01  0.119964D+02 -0.749424D-01  0.549340D+00
               101           102           103           104           105 
      1   0.507900D+01  0.316992D+01 -0.924771D+01 -0.210928D+02 -0.739971D+01
      2  -0.340681D+01 -0.822758D+00  0.878212D+01  0.193756D+02  0.965291D+01
      3  -0.167218D+01 -0.234716D+01  0.465589D+00  0.171720D+01 -0.225320D+01
      4   0.225736D+02  0.135775D+00 -0.203388D+02  0.377329D+01  0.329225D+01
      5  -0.995400D-01  0.203134D+02 -0.108615D+02  0.122379D+01 -0.279126D+01
      6   0.274559D+00 -0.269132D+01  0.294927D+01  0.498174D+01 -0.484782D+01
               106           107           108           109           110 
      1   0.101057D+01 -0.711080D+01  0.126499D+02  0.110425D+02  0.216416D+02
      2   0.136477D+01  0.541713D+01 -0.160834D+02 -0.968413D+01 -0.139063D+02
      3  -0.237534D+01  0.169367D+01  0.343353D+01 -0.135835D+01 -0.773530D+01
      4  -0.116735D+02  0.172570D+01 -0.286215D+01  0.167658D+02 -0.680628D+01
      5   0.345681D+02 -0.291883D+01 -0.319906D+01  0.403940D+01 -0.114149D+01
      6  -0.206332D+01  0.659123D+01 -0.410068D+01 -0.382141D+01 -0.779667D-01
               111           112           113           114           115 
      1   0.364325D+01 -0.203375D+02  0.114381D+02  0.330710D+01 -0.415445D+01
      2  -0.323302D+00  0.193001D+02 -0.166789D+02 -0.659737D+01  0.650993D+01
      3  -0.331994D+01  0.103747D+01  0.524077D+01  0.329027D+01 -0.235548D+01
      4  -0.242753D+01  0.116528D+02  0.434056D+01  0.621853D+01 -0.156520D+01
      5  -0.190420D+01 -0.500001D+00  0.665819D+01 -0.122623D+02  0.131084D+02
      6  -0.476821D+01  0.475373D+01 -0.103856D+02  0.737325D+01 -0.533913D+01
               116           117           118           119           120 
      1   0.165448D+01 -0.580846D+01 -0.157849D+01 -0.184568D+02 -0.423387D+01
      2  -0.853487D+01 -0.509471D+01 -0.405025D+00  0.132707D+02 -0.379030D+00
      3   0.688039D+01  0.109032D+02  0.198351D+01  0.518613D+01  0.461290D+01
      4   0.831357D+01 -0.133406D+02 -0.123571D+02 -0.111292D+02 -0.528576D+00
      5  -0.138347D+02 -0.813746D+01 -0.331173D+01 -0.103163D+01 -0.328871D+01
      6   0.149378D+02  0.319683D+01  0.165452D+01  0.408492D+00  0.741956D+01
               121           122           123           124           125 
      1   0.498737D+01  0.310121D+01  0.319881D+01  0.645383D+00  0.414574D+01
      2  -0.142897D+02 -0.621831D+01 -0.318554D+01 -0.596751D+01 -0.633680D+01
      3   0.930232D+01  0.311711D+01 -0.132726D-01  0.532213D+01  0.219106D+01
      4   0.470324D+01 -0.143333D+02 -0.228308D+01  0.217848D+01 -0.149223D+01
      5   0.253382D+01 -0.212593D+01  0.118470D+01  0.215856D+01 -0.189343D+01
      6  -0.660655D+01 -0.515426D+01  0.459276D+01  0.505709D+01  0.107966D+02
               126           127           128           129           130 
      1  -0.144366D+02 -0.527806D+01  0.906448D+01  0.201360D+01  0.771550D+01
      2   0.114405D+01  0.688884D+01 -0.109433D+02 -0.151205D+01 -0.948917D+01
      3   0.132926D+02 -0.161078D+01  0.187883D+01 -0.501559D+00  0.177367D+01
      4  -0.324293D+01 -0.373519D+01  0.736993D+01  0.113655D+01  0.506019D+01
      5   0.403935D+00 -0.810051D+00  0.116021D+01  0.151008D+01  0.896215D+00
      6   0.274056D+00  0.204758D+01 -0.266340D+01 -0.244520D+01 -0.246468D+01
               131           132           133           134           135 
      1  -0.335217D+02 -0.638456D+01  0.171628D+01 -0.647231D+01 -0.277096D+01
      2   0.446916D+02  0.595783D+01 -0.206457D+01  0.775024D+01  0.342969D+01
      3  -0.111700D+02  0.426739D+00  0.348298D+00 -0.127793D+01 -0.658728D+00
      4   0.633761D+00  0.476340D+00  0.104041D+01  0.170215D+00 -0.138241D+01
      5   0.714906D+00 -0.995212D-01  0.465196D+00 -0.545681D+00 -0.495725D+00
      6   0.106703D+02  0.787948D+01 -0.822353D+00  0.406517D+01  0.245289D+01
               136           137           138           139           140 
      1   0.221376D+02  0.139170D+02  0.234930D+01  0.908622D+01  0.363339D+01
      2  -0.415437D+01  0.868054D+00 -0.897448D+00  0.610503D+01  0.163362D+02
      3  -0.179832D+02 -0.147851D+02 -0.145185D+01 -0.151912D+02 -0.199696D+02
      4   0.329620D+02  0.303143D+02  0.400218D+01  0.333200D+02  0.434864D+02
      5   0.616051D+01  0.459325D+01  0.604592D+01  0.632407D+01  0.740950D+01
      6   0.253185D+01  0.212972D+01  0.327094D+01  0.395986D+01  0.563945D+01
               141           142           143           144           145 
      1   0.682094D+00  0.136960D+01  0.193658D+00  0.801452D-01  0.997794D+02
      2   0.703447D+00  0.881541D+00  0.246049D+01  0.117687D+01 -0.558320D+02
      3  -0.138554D+01 -0.225114D+01 -0.265414D+01 -0.125701D+01 -0.439474D+02
      4   0.638178D+01  0.574650D+01  0.716720D+01  0.340390D+01 -0.153266D+02
      5   0.589193D+01  0.256318D+01  0.281892D+01  0.161971D+01 -0.497091D+01
      6   0.591944D+01  0.195895D+01  0.271219D+01  0.184183D+01 -0.197487D+01
               146           147           148           149           150 
      1  -0.925291D+01 -0.412410D+01 -0.799771D+01  0.954475D+01  0.157450D+01
      2   0.449290D+01  0.268810D+01  0.337706D+01 -0.421714D+01 -0.127168D+01
      3   0.476001D+01  0.143600D+01  0.462066D+01 -0.532761D+01 -0.302814D+00
      4   0.984935D+01  0.470198D+00  0.157259D+02 -0.461605D+01 -0.962832D+00
      5   0.258110D+00  0.978362D+01  0.311066D+01 -0.847032D+00 -0.133844D+01
      6  -0.338629D-01 -0.699619D+00 -0.412012D+00 -0.393503D-01  0.143252D+01
               151           152           153           154           155 
      1  -0.430035D+01  0.165002D+01  0.338252D+01  0.519866D+01 -0.441560D+01
      2   0.225324D+01 -0.861617D+00 -0.191537D+01  0.368568D+01 -0.555121D+01
      3   0.204712D+01 -0.788408D+00 -0.146715D+01 -0.888434D+01  0.996681D+01
      4   0.331926D+01 -0.105166D+01 -0.711462D+00 -0.184627D+02  0.232711D+02
      5   0.228250D+01 -0.425826D+00 -0.636935D+00 -0.352158D+01  0.396676D+01
      6  -0.138228D+00  0.411249D+00  0.329153D+00  0.268979D+01 -0.307449D+01
               156           157           158           159           160 
      1  -0.891337D+00  0.113957D+01 -0.162317D+02 -0.309490D+01  0.165024D+00
      2  -0.368167D+00 -0.116889D+02  0.387095D+02  0.499840D+01 -0.192631D+01
      3   0.125950D+01  0.105494D+02 -0.224778D+02 -0.190351D+01  0.176128D+01
      4   0.438619D+01  0.240985D+02 -0.471170D+02 -0.864635D+01  0.508353D+01
      5   0.414154D+01  0.435391D+01 -0.780123D+01 -0.557969D+01  0.196432D+01
      6  -0.268320D+01 -0.440633D+01  0.108674D+02  0.830069D+01 -0.205395D+01
               161           162           163           164           165 
      1  -0.286690D+01 -0.161026D+01 -0.385279D+01 -0.649416D+01 -0.110238D+01
      2   0.665927D+01  0.293980D+01  0.601734D+01  0.917879D+01  0.728653D+00
      3  -0.379237D+01 -0.132955D+01 -0.216455D+01 -0.268462D+01  0.373731D+00
      4  -0.973589D+01 -0.358330D+01  0.904195D+01  0.854270D+01  0.782421D+00
      5  -0.260465D+01 -0.181039D+01  0.125326D+00  0.607176D+00  0.195074D+01
      6   0.411334D+01  0.278602D+01  0.106608D+01  0.161015D+01  0.233763D+01
               166           167           168           169           170 
      1  -0.792446D+01 -0.201774D+02 -0.334411D+01 -0.126036D+01 -0.339684D+01
      2   0.109421D+02  0.271468D+02  0.272593D+01  0.199392D+01  0.414973D+01
      3  -0.301768D+01 -0.696946D+01  0.618179D+00 -0.733565D+00 -0.752891D+00
      4   0.860066D+01  0.854051D+01  0.794435D+00  0.121203D+01  0.114571D+01
      5   0.866629D+00  0.913494D+00  0.160541D+01  0.824248D+00  0.842963D+00
      6   0.227934D+01  0.475843D+01  0.533874D+01  0.769575D+00  0.232166D+01
               171 
      1  -0.761501D+00
      2   0.167836D+01
      3  -0.916856D+00
      4   0.208565D+01
      5   0.518598D+00
      6   0.125531D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643137D+00      0.163469D+01      0.545275D+01
   x         -0.414972D+00     -0.105475D+01     -0.351828D+01
   y          0.430442D+00      0.109407D+01      0.364944D+01
   z         -0.236947D+00     -0.602259D+00     -0.200892D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947017D+02      0.140333D+02      0.156142D+02
   aniso      0.477336D+02      0.707338D+01      0.787020D+01
   xx         0.120315D+03      0.178288D+02      0.198373D+02
   yx         0.658091D+00      0.975190D-01      0.108504D+00
   yy         0.970347D+02      0.143791D+02      0.159989D+02
   zx        -0.168596D+01     -0.249834D+00     -0.277977D+00
   zy         0.591442D+01      0.876426D+00      0.975156D+00
   zz         0.667553D+02      0.989212D+01      0.110065D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102843D+03      0.152397D+02      0.169565D+02
   aniso      0.484600D+02      0.718103D+01      0.798997D+01
   xx         0.129191D+03      0.191441D+02      0.213007D+02
   yx         0.950164D+00      0.140800D+00      0.156661D+00
   yy         0.104742D+03      0.155212D+02      0.172696D+02
   zx        -0.170568D+01     -0.252755D+00     -0.281228D+00
   zy         0.557671D+01      0.826383D+00      0.919475D+00
   zz         0.745951D+02      0.110538D+02      0.122991D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8          1.06769431         -2.11508468         -4.15855482
     6          2.09106880         -0.30135558         -2.41856796
     1          0.42917632         -3.52524239         -3.19773248
     1          2.30108628          1.40968632         -3.55141128
     6          4.69568660         -1.11614513         -1.50044667
     6          0.22793453          0.25468875         -0.31926551
     1          4.60407522         -2.88607999         -0.44456533
     1          5.52493693          0.31960982         -0.27291979
     1          5.93541503         -1.40762384         -3.11920623
     6         -1.33996906          2.36446622         -0.47735407
     6         -3.12791380          2.86092163          1.37958643
     6         -3.38144689          1.23735887          3.42798868
     6         -1.83254271         -0.87626101          3.60663543
     6         -0.03887991         -1.35708526          1.75072863
     1         -1.15766375          3.62580393         -2.07949126
     1         -4.32445908          4.51305342          1.22607504
     1         -4.77269304          1.61821220          4.87797413
     1         -2.01243294         -2.14636733          5.20028364
     1          1.16740130         -2.99990985          1.93360185

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643137D+00      0.163469D+01      0.545275D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.643137D+00      0.163469D+01      0.545275D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947017D+02      0.140333D+02      0.156142D+02
   aniso      0.477336D+02      0.707338D+01      0.787020D+01
   xx         0.950926D+02      0.140913D+02      0.156787D+02
   yx        -0.168015D+02     -0.248972D+01     -0.277019D+01
   yy         0.906823D+02      0.134377D+02      0.149515D+02
   zx        -0.209882D+02     -0.311013D+01     -0.346048D+01
   zy        -0.468700D+01     -0.694541D+00     -0.772781D+00
   zz         0.983301D+02      0.145710D+02      0.162124D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102843D+03      0.152397D+02      0.169565D+02
   aniso      0.484600D+02      0.718103D+01      0.798997D+01
   xx         0.103704D+03      0.153674D+02      0.170985D+02
   yx        -0.172367D+02     -0.255422D+01     -0.284195D+01
   yy         0.983769D+02      0.145780D+02      0.162202D+02
   zx        -0.212227D+02     -0.314489D+01     -0.349916D+01
   zy        -0.429461D+01     -0.636395D+00     -0.708085D+00
   zz         0.106447D+03      0.157738D+02      0.175507D+02

 ----------------------------------------------------------------------
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 ROSE IS A RED
 TY COBB IS BLUE
 'CAUSE PETE JUST HIT
 NO. 4592.
 Job cpu time:       0 days  4 hours 28 minutes  5.9 seconds.
 Elapsed time:       0 days  0 hours 33 minutes 36.6 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:36:08 2021.
